N-benzyl-N-methylpropan-2-amine;2-hydroxy-N-propan-2-ylacetamide;[2-oxo-2-(propan-2-ylamino)ethyl] acetate;propan-2-amine;N-propan-2-ylacetamide;2,2,2-trifluoro-N-propan-2-ylacetamide

C36H69F3N6O7 — CID 159552907

IUPACN-benzyl-N-methylpropan-2-amine;2-hydroxy-N-propan-2-ylacetamide;[2-oxo-2-(propan-2-ylamino)ethyl] acetate;propan-2-amine;N-propan-2-ylacetamide;2,2,2-trifluoro-N-propan-2-ylacetamide
SMILESCC(=O)NC(C)C.CC(=O)OCC(=O)NC(C)C.CC(C)N.CC(C)N(C)Cc1ccccc1.CC(C)NC(=O)C(F)(F)F.CC(C)NC(=O)CO
InChIInChI=1S/C11H17N.C7H13NO3.C5H8F3NO.C5H11NO2.C5H11NO.C3H9N/c1-10(2)12(3)9-11-7-5-4-6-8-11;1-5(2)8-7(10)4-11-6(3)9;1-3(2)9-4(10)5(6,7)8;1-4(2)6-5(8)3-7;1-4(2)6-5(3)7;1-3(2)4/h4-8,10H,9H2,1-3H3;5H,4H2,1-3H3,(H,8,10);3H,1-2H3,(H,9,10);4,7H,3H2,1-2H3,(H,6,8);4H,1-3H3,(H,6,7);3H,4H2,1-2H3
InChIKeyMFPVAQNKYWOIKB-UHFFFAOYSA-N
MW754.98 g/mol
LogP4.06
Rot. Bonds10

About N-benzyl-N-methylpropan-2-amine;2-hydroxy-N-propan-2-ylacetamide;[2-oxo-2-(propan-2-ylamino)ethyl] acetate;propan-2-amine;N-propan-2-ylacetamide;2,2,2-trifluoro-N-propan-2-ylacetamide

N-benzyl-N-methylpropan-2-amine;2-hydroxy-N-propan-2-ylacetamide;[2-oxo-2-(propan-2-ylamino)ethyl] acetate;propan-2-amine;N-propan-2-ylacetamide;2,2,2-trifluoro-N-propan-2-ylacetamide (PubChem CID 159552907) has the molecular formula C36H69F3N6O7 and a molecular weight of 754.98 g/mol. Its IUPAC name is N-benzyl-N-methylpropan-2-amine;2-hydroxy-N-propan-2-ylacetamide;[2-oxo-2-(propan-2-ylamino)ethyl] acetate;propan-2-amine;N-propan-2-ylacetamide;2,2,2-trifluoro-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-N-methylpropan-2-amine;2-hydroxy-N-propan-2-ylacetamide;[2-oxo-2-(propan-2-ylamino)ethyl] acetate;propan-2-amine;N-propan-2-ylacetamide;2,2,2-trifluoro-N-propan-2-ylacetamide
PubChem CID159552907
Molecular FormulaC36H69F3N6O7
Molecular Weight754.98 g/mol
Exact Mass754.52
IUPAC NameN-benzyl-N-methylpropan-2-amine;2-hydroxy-N-propan-2-ylacetamide;[2-oxo-2-(propan-2-ylamino)ethyl] acetate;propan-2-amine;N-propan-2-ylacetamide;2,2,2-trifluoro-N-propan-2-ylacetamide
SMILESCC(=O)NC(C)C.CC(=O)OCC(=O)NC(C)C.CC(C)N.CC(C)N(C)Cc1ccccc1.CC(C)NC(=O)C(F)(F)F.CC(C)NC(=O)CO
InChIInChI=1S/C11H17N.C7H13NO3.C5H8F3NO.C5H11NO2.C5H11NO.C3H9N/c1-10(2)12(3)9-11-7-5-4-6-8-11;1-5(2)8-7(10)4-11-6(3)9;1-3(2)9-4(10)5(6,7)8;1-4(2)6-5(8)3-7;1-4(2)6-5(3)7;1-3(2)4/h4-8,10H,9H2,1-3H3;5H,4H2,1-3H3,(H,8,10);3H,1-2H3,(H,9,10);4,7H,3H2,1-2H3,(H,6,8);4H,1-3H3,(H,6,7);3H,4H2,1-2H3
InChIKeyMFPVAQNKYWOIKB-UHFFFAOYSA-N
XLogP4.06
TPSA192.19 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.98
LogP ≤ 54.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze N-benzyl-N-methylpropan-2-amine;2-hydroxy-N-propan-2-ylacetamide;[2-oxo-2-(propan-2-ylamino)ethyl] acetate;propan-2-amine;N-propan-2-ylacetamide;2,2,2-trifluoro-N-propan-2-ylacetamide with MolForge

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Related Compounds

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[2-(Benzylamino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 9111929
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(3S,6S,8E,12S)-12-Amino-N-(2-hydroxyethyl)-3-methyl-5,13-dioxo-N-(phenylmethyl)-1-oxa-4-azacyclotridec-8-ene-6-acetamide
CID 25109984
[2-[1-(2-Methylphenyl)ethylamino]-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 16279656
N-benzyl-2-[(3S,6R,8Z)-3-tert-butyl-5,12-dioxo-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide
CID 44201565
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CID 44201596
N-benzyl-N-(2-hydroxyethyl)-2-[(3S,6R,8Z)-3-methyl-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-6-yl]acetamide
CID 44201770
N-benzyl-N-(2-hydroxyethyl)-2-[(3R,6S,8Z)-3-methyl-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-6-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methylpropan-2-amine;2-hydroxy-N-propan-2-ylacetamide;[2-oxo-2-(propan-2-ylamino)ethyl] acetate;propan-2-amine;N-propan-2-ylacetamide;2,2,2-trifluoro-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-N-methylpropan-2-amine;2-hydroxy-N-propan-2-ylacetamide;[2-oxo-2-(propan-2-ylamino)ethyl] acetate;propan-2-amine;N-propan-2-ylacetamide;2,2,2-trifluoro-N-propan-2-ylacetamide (CID 159552907) is N-benzyl-N-methylpropan-2-amine;2-hydroxy-N-propan-2-ylacetamide;[2-oxo-2-(propan-2-ylamino)ethyl] acetate;propan-2-amine;N-propan-2-ylacetamide;2,2,2-trifluoro-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-N-methylpropan-2-amine;2-hydroxy-N-propan-2-ylacetamide;[2-oxo-2-(propan-2-ylamino)ethyl] acetate;propan-2-amine;N-propan-2-ylacetamide;2,2,2-trifluoro-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-N-methylpropan-2-amine;2-hydroxy-N-propan-2-ylacetamide;[2-oxo-2-(propan-2-ylamino)ethyl] acetate;propan-2-amine;N-propan-2-ylacetamide;2,2,2-trifluoro-N-propan-2-ylacetamide is CC(=O)NC(C)C.CC(=O)OCC(=O)NC(C)C.CC(C)N.CC(C)N(C)Cc1ccccc1.CC(C)NC(=O)C(F)(F)F.CC(C)NC(=O)CO.
What is the InChIKey of N-benzyl-N-methylpropan-2-amine;2-hydroxy-N-propan-2-ylacetamide;[2-oxo-2-(propan-2-ylamino)ethyl] acetate;propan-2-amine;N-propan-2-ylacetamide;2,2,2-trifluoro-N-propan-2-ylacetamide?
The InChIKey is MFPVAQNKYWOIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C7H13NO3.C5H8F3NO.C5H11NO2.C5H11NO.C3H9N/c1-10(2)12(3)9-11-7-5-4-6-8-11;1-5(2)8-7(10)4-11-6(3)9;1-3(2)9-4(10)5(6,7)8;1-4(2)6-5(8)3-7;1-4(2)6-5(3)7;1-3(2)4/h4-8,10H,9H2,1-3H3;5H,4H2,1-3H3,(H,8,10);3H,1-2H3,(H,9,10);4,7H,3H2,1-2H3,(H,6,8);4H,1-3H3,(H,6,7);3H,4H2,1-2H3.
What are the key properties of N-benzyl-N-methylpropan-2-amine;2-hydroxy-N-propan-2-ylacetamide;[2-oxo-2-(propan-2-ylamino)ethyl] acetate;propan-2-amine;N-propan-2-ylacetamide;2,2,2-trifluoro-N-propan-2-ylacetamide?
N-benzyl-N-methylpropan-2-amine;2-hydroxy-N-propan-2-ylacetamide;[2-oxo-2-(propan-2-ylamino)ethyl] acetate;propan-2-amine;N-propan-2-ylacetamide;2,2,2-trifluoro-N-propan-2-ylacetamide has a molecular weight of 754.98 g/mol, XLogP of 4.06, 10 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methylpropan-2-amine;2-hydroxy-N-propan-2-ylacetamide;[2-oxo-2-(propan-2-ylamino)ethyl] acetate;propan-2-amine;N-propan-2-ylacetamide;2,2,2-trifluoro-N-propan-2-ylacetamide is sourced from PubChem (CID 159552907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).