N-cyclopropyl-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylacetamide

C13H27N3O2 — CID 106147557

IUPACN-cyclopropyl-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylacetamide
SMILESCCN(C(=O)CNCC(C)(O)CN(C)C)C1CC1
InChIInChI=1S/C13H27N3O2/c1-5-16(11-6-7-11)12(17)8-14-9-13(2,18)10-15(3)4/h11,14,18H,5-10H2,1-4H3
InChIKeyLXWPTYNHLGACPJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP-0.10
Rot. Bonds8

About N-cyclopropyl-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylacetamide

N-cyclopropyl-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylacetamide (PubChem CID 106147557) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-cyclopropyl-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylacetamide
PubChem CID106147557
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-cyclopropyl-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylacetamide
SMILESCCN(C(=O)CNCC(C)(O)CN(C)C)C1CC1
InChIInChI=1S/C13H27N3O2/c1-5-16(11-6-7-11)12(17)8-14-9-13(2,18)10-15(3)4/h11,14,18H,5-10H2,1-4H3
InChIKeyLXWPTYNHLGACPJ-UHFFFAOYSA-N
XLogP-0.10
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylacetamide
CID 54957022
N-cyclopropyl-N-ethyl-2-(2,2,3,3-tetrafluoropropylamino)acetamide
CID 114169288
N-cyclopropyl-2-(cyclopropylmethylamino)-N-ethylacetamide
CID 60843358
2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
CID 43465978
N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylacetamide
CID 106247244
N-carbamoyl-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]acetamide
CID 106147492
2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-propylacetamide
CID 106147606
N-cyclohexyl-N-ethyl-2-(ethylamino)acetamide
CID 60686638
N-cyclopropyl-N-ethyl-2-[(3-hydroxycyclobutyl)methylamino]acetamide
CID 66006581
N-cyclopropyl-N-ethyl-2-(3-methylbutylamino)acetamide
CID 60975211
3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-N,N-diethylpropanamide
CID 112685323
N-cyclopropyl-2-(2-ethoxyethylamino)-N-ethylacetamide
CID 60976287

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylacetamide?
The IUPAC name of N-cyclopropyl-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylacetamide (CID 106147557) is N-cyclopropyl-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylacetamide?
The canonical SMILES for N-cyclopropyl-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylacetamide is CCN(C(=O)CNCC(C)(O)CN(C)C)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylacetamide?
The InChIKey is LXWPTYNHLGACPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-5-16(11-6-7-11)12(17)8-14-9-13(2,18)10-15(3)4/h11,14,18H,5-10H2,1-4H3.
What are the key properties of N-cyclopropyl-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylacetamide?
N-cyclopropyl-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylacetamide has a molecular weight of 257.38 g/mol, XLogP of -0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylacetamide is sourced from PubChem (CID 106147557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).