N-benzyl-2-[[1-(cyanomethyl)cyclopropyl]methylamino]acetamide

C15H19N3O — CID 65495607

IUPACN-benzyl-2-[[1-(cyanomethyl)cyclopropyl]methylamino]acetamide
SMILESN#CCC1(CNCC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C15H19N3O/c16-9-8-15(6-7-15)12-17-11-14(19)18-10-13-4-2-1-3-5-13/h1-5,17H,6-8,10-12H2,(H,18,19)
InChIKeyOGPORFVMPUMFCR-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.59
Rot. Bonds7

About N-benzyl-2-[[1-(cyanomethyl)cyclopropyl]methylamino]acetamide

N-benzyl-2-[[1-(cyanomethyl)cyclopropyl]methylamino]acetamide (PubChem CID 65495607) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-benzyl-2-[[1-(cyanomethyl)cyclopropyl]methylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[1-(cyanomethyl)cyclopropyl]methylamino]acetamide
PubChem CID65495607
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-benzyl-2-[[1-(cyanomethyl)cyclopropyl]methylamino]acetamide
SMILESN#CCC1(CNCC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C15H19N3O/c16-9-8-15(6-7-15)12-17-11-14(19)18-10-13-4-2-1-3-5-13/h1-5,17H,6-8,10-12H2,(H,18,19)
InChIKeyOGPORFVMPUMFCR-UHFFFAOYSA-N
XLogP1.59
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-[[1-(cyanomethyl)cyclopropyl]methylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]acetamide
CID 114756431
N-benzyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide
CID 60971311
2-[[2-(benzylamino)-2-oxoethyl]amino]-N-(2-cyanoethyl)acetamide
CID 60972076
2-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid
CID 103240670
2-[1-[[(2-ethylphenyl)methylamino]methyl]cyclopropyl]acetonitrile
CID 65497124
sodium;N-benzyl-2-cyanoacetamide;hydride
CID 173433462
N-benzyl-2-(2-phenylethylamino)acetamide
CID 28829660
2-[1-[(naphthalen-1-ylamino)methyl]cyclopropyl]acetonitrile
CID 65479545
N-benzyl-2-(cyclobutylmethylamino)acetamide
CID 43298629
2-(1-aminocyclobutyl)-N-[2-(benzylamino)-2-oxoethyl]acetamide
CID 79854273
N-benzyl-2-(2-methylprop-2-enylamino)acetamide
CID 62331341
N-benzyl-2-hydrazinylacetamide
CID 15514349

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[1-(cyanomethyl)cyclopropyl]methylamino]acetamide?
The IUPAC name of N-benzyl-2-[[1-(cyanomethyl)cyclopropyl]methylamino]acetamide (CID 65495607) is N-benzyl-2-[[1-(cyanomethyl)cyclopropyl]methylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[[1-(cyanomethyl)cyclopropyl]methylamino]acetamide?
The canonical SMILES for N-benzyl-2-[[1-(cyanomethyl)cyclopropyl]methylamino]acetamide is N#CCC1(CNCC(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-2-[[1-(cyanomethyl)cyclopropyl]methylamino]acetamide?
The InChIKey is OGPORFVMPUMFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-9-8-15(6-7-15)12-17-11-14(19)18-10-13-4-2-1-3-5-13/h1-5,17H,6-8,10-12H2,(H,18,19).
What are the key properties of N-benzyl-2-[[1-(cyanomethyl)cyclopropyl]methylamino]acetamide?
N-benzyl-2-[[1-(cyanomethyl)cyclopropyl]methylamino]acetamide has a molecular weight of 257.34 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[1-(cyanomethyl)cyclopropyl]methylamino]acetamide is sourced from PubChem (CID 65495607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).