N-(1-cyano-1-cyclopropylethyl)-2-[(3-hydroxy-1-phenylpropyl)-methylamino]acetamide

C18H25N3O2 — CID 111489142

IUPACN-(1-cyano-1-cyclopropylethyl)-2-[(3-hydroxy-1-phenylpropyl)-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C#N)C1CC1)C(CCO)c1ccccc1
InChIInChI=1S/C18H25N3O2/c1-18(13-19,15-8-9-15)20-17(23)12-21(2)16(10-11-22)14-6-4-3-5-7-14/h3-7,15-16,22H,8-12H2,1-2H3,(H,20,23)
InChIKeyKNLLXWJCNGBBGR-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.85
Rot. Bonds8

About N-(1-cyano-1-cyclopropylethyl)-2-[(3-hydroxy-1-phenylpropyl)-methylamino]acetamide

N-(1-cyano-1-cyclopropylethyl)-2-[(3-hydroxy-1-phenylpropyl)-methylamino]acetamide (PubChem CID 111489142) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(1-cyano-1-cyclopropylethyl)-2-[(3-hydroxy-1-phenylpropyl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(1-cyano-1-cyclopropylethyl)-2-[(3-hydroxy-1-phenylpropyl)-methylamino]acetamide
PubChem CID111489142
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(1-cyano-1-cyclopropylethyl)-2-[(3-hydroxy-1-phenylpropyl)-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C#N)C1CC1)C(CCO)c1ccccc1
InChIInChI=1S/C18H25N3O2/c1-18(13-19,15-8-9-15)20-17(23)12-21(2)16(10-11-22)14-6-4-3-5-7-14/h3-7,15-16,22H,8-12H2,1-2H3,(H,20,23)
InChIKeyKNLLXWJCNGBBGR-UHFFFAOYSA-N
XLogP1.85
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzhydrylamino)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
CID 7531377
N-(1-cyano-1-cyclopropylethyl)-2-[N-(3-hydroxypropyl)anilino]acetamide
CID 111859993
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(N-methyl-2-phenylanilino)acetamide
CID 95044031
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(N-methyl-2-phenylanilino)acetamide
CID 96998431
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]acetamide
CID 94498516
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 7750033
N-(1-cyano-1-cyclopropylethyl)-2-[N-(2-hydroxybutyl)anilino]acetamide
CID 110924096
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide
CID 98619331
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755557
N-(1-cyano-1-cyclopropylethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107485470
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 95168877
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051298

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-[(3-hydroxy-1-phenylpropyl)-methylamino]acetamide?
The IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-[(3-hydroxy-1-phenylpropyl)-methylamino]acetamide (CID 111489142) is N-(1-cyano-1-cyclopropylethyl)-2-[(3-hydroxy-1-phenylpropyl)-methylamino]acetamide.
What is the SMILES notation for N-(1-cyano-1-cyclopropylethyl)-2-[(3-hydroxy-1-phenylpropyl)-methylamino]acetamide?
The canonical SMILES for N-(1-cyano-1-cyclopropylethyl)-2-[(3-hydroxy-1-phenylpropyl)-methylamino]acetamide is CN(CC(=O)NC(C)(C#N)C1CC1)C(CCO)c1ccccc1.
What is the InChIKey of N-(1-cyano-1-cyclopropylethyl)-2-[(3-hydroxy-1-phenylpropyl)-methylamino]acetamide?
The InChIKey is KNLLXWJCNGBBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(13-19,15-8-9-15)20-17(23)12-21(2)16(10-11-22)14-6-4-3-5-7-14/h3-7,15-16,22H,8-12H2,1-2H3,(H,20,23).
What are the key properties of N-(1-cyano-1-cyclopropylethyl)-2-[(3-hydroxy-1-phenylpropyl)-methylamino]acetamide?
N-(1-cyano-1-cyclopropylethyl)-2-[(3-hydroxy-1-phenylpropyl)-methylamino]acetamide has a molecular weight of 315.42 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-1-cyclopropylethyl)-2-[(3-hydroxy-1-phenylpropyl)-methylamino]acetamide is sourced from PubChem (CID 111489142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).