N-(4-cyanophenyl)-3-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]propanamide

C18H23N3O2 — CID 94816552

IUPACN-(4-cyanophenyl)-3-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]propanamide
SMILESN#Cc1ccc(NC(=O)CCN(C[C@@H]2CCOC2)C2CC2)cc1
InChIInChI=1S/C18H23N3O2/c19-11-14-1-3-16(4-2-14)20-18(22)7-9-21(17-5-6-17)12-15-8-10-23-13-15/h1-4,15,17H,5-10,12-13H2,(H,20,22)/t15-/m0/s1
InChIKeyOUTYBCOKOIGNJG-HNNXBMFYSA-N
MW313.40 g/mol
LogP2.39
Rot. Bonds7

About N-(4-cyanophenyl)-3-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]propanamide

N-(4-cyanophenyl)-3-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]propanamide (PubChem CID 94816552) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]propanamide
PubChem CID94816552
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(4-cyanophenyl)-3-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]propanamide
SMILESN#Cc1ccc(NC(=O)CCN(C[C@@H]2CCOC2)C2CC2)cc1
InChIInChI=1S/C18H23N3O2/c19-11-14-1-3-16(4-2-14)20-18(22)7-9-21(17-5-6-17)12-15-8-10-23-13-15/h1-4,15,17H,5-10,12-13H2,(H,20,22)/t15-/m0/s1
InChIKeyOUTYBCOKOIGNJG-HNNXBMFYSA-N
XLogP2.39
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-3-[cyclopropyl(2-methoxyethyl)amino]propanamide
CID 61451516
2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]-N-phenylacetamide
CID 51728486
N-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide
CID 43264950
N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 43243615
3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide
CID 113116695
3-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 47209992
N-(4-cyanophenyl)-3-[cyclobutylmethyl(ethyl)amino]propanamide
CID 107398731
N-(4-cyanophenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137514
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 63939812
N-(4-cyanophenyl)-3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanamide
CID 111332264
3-[[2-(3-cyanoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 60839707

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]propanamide (CID 94816552) is N-(4-cyanophenyl)-3-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]propanamide is N#Cc1ccc(NC(=O)CCN(C[C@@H]2CCOC2)C2CC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]propanamide?
The InChIKey is OUTYBCOKOIGNJG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O2/c19-11-14-1-3-16(4-2-14)20-18(22)7-9-21(17-5-6-17)12-15-8-10-23-13-15/h1-4,15,17H,5-10,12-13H2,(H,20,22)/t15-/m0/s1.
What are the key properties of N-(4-cyanophenyl)-3-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]propanamide?
N-(4-cyanophenyl)-3-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]propanamide has a molecular weight of 313.40 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]propanamide is sourced from PubChem (CID 94816552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).