2-[benzyl(cyclopropyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide

C18H25N3O — CID 51728153

IUPAC2-[benzyl(cyclopropyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)CN(Cc1ccccc1)C1CC1
InChIInChI=1S/C18H25N3O/c1-14(2)18(3,13-19)20-17(22)12-21(16-9-10-16)11-15-7-5-4-6-8-15/h4-8,14,16H,9-12H2,1-3H3,(H,20,22)/t18-/m1/s1
InChIKeyBVTXXRGWIKVJIK-GOSISDBHSA-N
MW299.42 g/mol
LogP2.71
Rot. Bonds7

About 2-[benzyl(cyclopropyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide

2-[benzyl(cyclopropyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide (PubChem CID 51728153) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[benzyl(cyclopropyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[benzyl(cyclopropyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
PubChem CID51728153
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-[benzyl(cyclopropyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)CN(Cc1ccccc1)C1CC1
InChIInChI=1S/C18H25N3O/c1-14(2)18(3,13-19)20-17(22)12-21(16-9-10-16)11-15-7-5-4-6-8-15/h4-8,14,16H,9-12H2,1-3H3,(H,20,22)/t18-/m1/s1
InChIKeyBVTXXRGWIKVJIK-GOSISDBHSA-N
XLogP2.71
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-3-methylbutan-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 78621363
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]acetamide
CID 124777042
N-(2-cyano-3-methylbutan-2-yl)-2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]acetamide
CID 55412851
2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 78790067
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetamide
CID 94874080
N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide
CID 78547582
N-[(2S)-2-cyano-3-methylbutan-2-yl]benzamide
CID 23582927
2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 2111655
2-[benzyl(cyclohexyl)amino]-N-cyclopropylacetamide
CID 60522706
N-(2-cyano-3-methylbutan-2-yl)-2-[ethyl-[(2-nitrophenyl)methyl]amino]acetamide
CID 47028227
(R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol
CID 59401599
N-benzyl-2-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide
CID 7981594

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(cyclopropyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-[benzyl(cyclopropyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide (CID 51728153) is 2-[benzyl(cyclopropyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[benzyl(cyclopropyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-[benzyl(cyclopropyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide is CC(C)[C@@](C)(C#N)NC(=O)CN(Cc1ccccc1)C1CC1.
What is the InChIKey of 2-[benzyl(cyclopropyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide?
The InChIKey is BVTXXRGWIKVJIK-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14(2)18(3,13-19)20-17(22)12-21(16-9-10-16)11-15-7-5-4-6-8-15/h4-8,14,16H,9-12H2,1-3H3,(H,20,22)/t18-/m1/s1.
What are the key properties of 2-[benzyl(cyclopropyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide?
2-[benzyl(cyclopropyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide has a molecular weight of 299.42 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(cyclopropyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 51728153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).