N-(1-cyanopropan-2-yl)-2-(cyclopentylamino)-N-methylacetamide

C12H21N3O — CID 63224848

IUPACN-(1-cyanopropan-2-yl)-2-(cyclopentylamino)-N-methylacetamide
SMILESCC(CC#N)N(C)C(=O)CNC1CCCC1
InChIInChI=1S/C12H21N3O/c1-10(7-8-13)15(2)12(16)9-14-11-5-3-4-6-11/h10-11,14H,3-7,9H2,1-2H3
InChIKeyYHFPFWVIVDHHFN-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.28
Rot. Bonds5

About N-(1-cyanopropan-2-yl)-2-(cyclopentylamino)-N-methylacetamide

N-(1-cyanopropan-2-yl)-2-(cyclopentylamino)-N-methylacetamide (PubChem CID 63224848) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-2-(cyclopentylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-2-(cyclopentylamino)-N-methylacetamide
PubChem CID63224848
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(1-cyanopropan-2-yl)-2-(cyclopentylamino)-N-methylacetamide
SMILESCC(CC#N)N(C)C(=O)CNC1CCCC1
InChIInChI=1S/C12H21N3O/c1-10(7-8-13)15(2)12(16)9-14-11-5-3-4-6-11/h10-11,14H,3-7,9H2,1-2H3
InChIKeyYHFPFWVIVDHHFN-UHFFFAOYSA-N
XLogP1.28
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyanopropan-2-yl)-2-(cyclopentylamino)-N-methylacetamide 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-(1-cyanopropan-2-yl)-2-cyclohexyl-N-methylacetamide
CID 55220083
N-[(2R)-1-cyanopropan-2-yl]-4-(cyclohexylcarbamoylamino)-N-methylbutanamide
CID 95345784
2-[[2-(cyclopentylamino)acetyl]-methylamino]propanoic acid
CID 62637271
2-(cyclopropylamino)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551708
2-[1-cyanopropan-2-yl(methyl)amino]-N-cyclopentylacetamide
CID 63228388
2-(cyclododecylamino)-N,N-dimethylacetamide
CID 43214559
2-(cyclooctylamino)-N-ethyl-N-methylacetamide
CID 43309596
2-(cyclopentylamino)-N-(cyclopropylmethyl)-N-methylacetamide
CID 60946518
2-(cycloheptylamino)-N,N-diethylacetamide
CID 43236917
4-chloro-N-(1-cyanopropan-2-yl)-N-methylbutanamide
CID 63308494
2-(cyclopentylamino)-N-(2-methylpropyl)-N-pentan-3-ylacetamide
CID 79490010
N,N-dimethyl-2-[(4-propan-2-ylcycloheptyl)amino]acetamide
CID 65086400

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-2-(cyclopentylamino)-N-methylacetamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-2-(cyclopentylamino)-N-methylacetamide (CID 63224848) is N-(1-cyanopropan-2-yl)-2-(cyclopentylamino)-N-methylacetamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-2-(cyclopentylamino)-N-methylacetamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-2-(cyclopentylamino)-N-methylacetamide is CC(CC#N)N(C)C(=O)CNC1CCCC1.
What is the InChIKey of N-(1-cyanopropan-2-yl)-2-(cyclopentylamino)-N-methylacetamide?
The InChIKey is YHFPFWVIVDHHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(7-8-13)15(2)12(16)9-14-11-5-3-4-6-11/h10-11,14H,3-7,9H2,1-2H3.
What are the key properties of N-(1-cyanopropan-2-yl)-2-(cyclopentylamino)-N-methylacetamide?
N-(1-cyanopropan-2-yl)-2-(cyclopentylamino)-N-methylacetamide has a molecular weight of 223.32 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-2-(cyclopentylamino)-N-methylacetamide is sourced from PubChem (CID 63224848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).