N-[3-[(2-cyanoacetyl)amino]propyl]cyclopentanecarboxamide

C12H19N3O2 — CID 108924397

IUPACN-[3-[(2-cyanoacetyl)amino]propyl]cyclopentanecarboxamide
SMILESN#CCC(=O)NCCCNC(=O)C1CCCC1
InChIInChI=1S/C12H19N3O2/c13-7-6-11(16)14-8-3-9-15-12(17)10-4-1-2-5-10/h10H,1-6,8-9H2,(H,14,16)(H,15,17)
InChIKeyKVRIFQCYJSKEHG-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.71
Rot. Bonds6

About N-[3-[(2-cyanoacetyl)amino]propyl]cyclopentanecarboxamide

N-[3-[(2-cyanoacetyl)amino]propyl]cyclopentanecarboxamide (PubChem CID 108924397) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[3-[(2-cyanoacetyl)amino]propyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[(2-cyanoacetyl)amino]propyl]cyclopentanecarboxamide
PubChem CID108924397
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[3-[(2-cyanoacetyl)amino]propyl]cyclopentanecarboxamide
SMILESN#CCC(=O)NCCCNC(=O)C1CCCC1
InChIInChI=1S/C12H19N3O2/c13-7-6-11(16)14-8-3-9-15-12(17)10-4-1-2-5-10/h10H,1-6,8-9H2,(H,14,16)(H,15,17)
InChIKeyKVRIFQCYJSKEHG-UHFFFAOYSA-N
XLogP0.71
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyanopropyl)cyclohexanecarboxamide
CID 62666827
2-cyano-N-[3-[(2-cyclohexylacetyl)amino]propyl]acetamide
CID 108924398
N-(3-hydroxypropyl)cyclopentanecarboxamide
CID 43392689
N-(3-bromopropyl)cyclopentanecarboxamide
CID 43133630
N-(4-hydroxybutyl)cyclopentanecarboxamide
CID 106843693
N-(3-aminopropyl)cyclohexanecarboxamide
CID 24699018
N-(6-hydroxyhexyl)cyclopentanecarboxamide
CID 70973936
N-[3-(cyclopentylamino)propyl]cyclobutanecarboxamide;hydrochloride
CID 115676200
2-cyano-N-(2-cyclohexyloxyethyl)acetamide
CID 63828131
N-(4-iodobutyl)cyclooctanecarboxamide
CID 106846142
2-cyano-N-hex-5-ynylacetamide
CID 104920077
N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]cyclohexanecarboxamide
CID 86877893

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-cyanoacetyl)amino]propyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[(2-cyanoacetyl)amino]propyl]cyclopentanecarboxamide (CID 108924397) is N-[3-[(2-cyanoacetyl)amino]propyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[(2-cyanoacetyl)amino]propyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[(2-cyanoacetyl)amino]propyl]cyclopentanecarboxamide is N#CCC(=O)NCCCNC(=O)C1CCCC1.
What is the InChIKey of N-[3-[(2-cyanoacetyl)amino]propyl]cyclopentanecarboxamide?
The InChIKey is KVRIFQCYJSKEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-7-6-11(16)14-8-3-9-15-12(17)10-4-1-2-5-10/h10H,1-6,8-9H2,(H,14,16)(H,15,17).
What are the key properties of N-[3-[(2-cyanoacetyl)amino]propyl]cyclopentanecarboxamide?
N-[3-[(2-cyanoacetyl)amino]propyl]cyclopentanecarboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-cyanoacetyl)amino]propyl]cyclopentanecarboxamide is sourced from PubChem (CID 108924397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).