N-(2-methylpropyl)-2-[(4-propoxyphenyl)methylamino]acetamide

C16H26N2O2 — CID 115586624

IUPACN-(2-methylpropyl)-2-[(4-propoxyphenyl)methylamino]acetamide
SMILESCCCOc1ccc(CNCC(=O)NCC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-4-9-20-15-7-5-14(6-8-15)11-17-12-16(19)18-10-13(2)3/h5-8,13,17H,4,9-12H2,1-3H3,(H,18,19)
InChIKeyZIAVJYLDZCRAQS-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.34
Rot. Bonds9

About N-(2-methylpropyl)-2-[(4-propoxyphenyl)methylamino]acetamide

N-(2-methylpropyl)-2-[(4-propoxyphenyl)methylamino]acetamide (PubChem CID 115586624) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[(4-propoxyphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[(4-propoxyphenyl)methylamino]acetamide
PubChem CID115586624
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(2-methylpropyl)-2-[(4-propoxyphenyl)methylamino]acetamide
SMILESCCCOc1ccc(CNCC(=O)NCC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-4-9-20-15-7-5-14(6-8-15)11-17-12-16(19)18-10-13(2)3/h5-8,13,17H,4,9-12H2,1-3H3,(H,18,19)
InChIKeyZIAVJYLDZCRAQS-UHFFFAOYSA-N
XLogP2.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-2-[(4-prop-2-enoxyphenyl)methylamino]acetamide
CID 115621888
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
2-[4-[[[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid
CID 103263785
2-[(4-ethoxyphenyl)methylamino]-N-ethylacetamide
CID 43398927
2-methyl-3-(methylamino)-N-[(4-propoxyphenyl)methyl]propanamide
CID 119714366
2-chloro-N-[(4-propoxyphenyl)methyl]propanamide
CID 82109238
2-(4-ethylphenoxy)-N-(2-methylpropyl)acetamide
CID 1120997
2-methyl-N-[(4-octoxyphenyl)methyl]propan-1-amine
CID 60657431
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]-N-propylacetamide
CID 43401621
N-(2-methylpropyl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]acetamide
CID 115621832
2-ethoxy-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 115655586
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[(4-propoxyphenyl)methylamino]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[(4-propoxyphenyl)methylamino]acetamide (CID 115586624) is N-(2-methylpropyl)-2-[(4-propoxyphenyl)methylamino]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[(4-propoxyphenyl)methylamino]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[(4-propoxyphenyl)methylamino]acetamide is CCCOc1ccc(CNCC(=O)NCC(C)C)cc1.
What is the InChIKey of N-(2-methylpropyl)-2-[(4-propoxyphenyl)methylamino]acetamide?
The InChIKey is ZIAVJYLDZCRAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-9-20-15-7-5-14(6-8-15)11-17-12-16(19)18-10-13(2)3/h5-8,13,17H,4,9-12H2,1-3H3,(H,18,19).
What are the key properties of N-(2-methylpropyl)-2-[(4-propoxyphenyl)methylamino]acetamide?
N-(2-methylpropyl)-2-[(4-propoxyphenyl)methylamino]acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[(4-propoxyphenyl)methylamino]acetamide is sourced from PubChem (CID 115586624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).