2-cyano-N-[3-[(2-cyclohexylacetyl)amino]propyl]acetamide

C14H23N3O2 — CID 108924398

IUPAC2-cyano-N-[3-[(2-cyclohexylacetyl)amino]propyl]acetamide
SMILESN#CCC(=O)NCCCNC(=O)CC1CCCCC1
InChIInChI=1S/C14H23N3O2/c15-8-7-13(18)16-9-4-10-17-14(19)11-12-5-2-1-3-6-12/h12H,1-7,9-11H2,(H,16,18)(H,17,19)
InChIKeyZUVBXOYBCAQNLW-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.49
Rot. Bonds7

About 2-cyano-N-[3-[(2-cyclohexylacetyl)amino]propyl]acetamide

2-cyano-N-[3-[(2-cyclohexylacetyl)amino]propyl]acetamide (PubChem CID 108924398) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-cyano-N-[3-[(2-cyclohexylacetyl)amino]propyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-[(2-cyclohexylacetyl)amino]propyl]acetamide
PubChem CID108924398
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-cyano-N-[3-[(2-cyclohexylacetyl)amino]propyl]acetamide
SMILESN#CCC(=O)NCCCNC(=O)CC1CCCCC1
InChIInChI=1S/C14H23N3O2/c15-8-7-13(18)16-9-4-10-17-14(19)11-12-5-2-1-3-6-12/h12H,1-7,9-11H2,(H,16,18)(H,17,19)
InChIKeyZUVBXOYBCAQNLW-UHFFFAOYSA-N
XLogP1.49
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.49
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-[(2-cyanoacetyl)amino]propyl]cyclopentanecarboxamide
CID 108924397
N-(4-cyanobutyl)-2-cyclobutylacetamide
CID 103707324
2-cycloheptyl-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119432481
N-(cyanomethyl)-2-cyclopentylacetamide
CID 60896119
2-cyclohexyl-N-pent-4-ynylacetamide
CID 103709024
N-(3-aminopropyl)-2-cyclopentylacetamide
CID 24706958
2-cyclohexyl-N-octylacetamide
CID 3547359
2-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 103799929
N-(5-bromopentyl)-2-cyclobutylacetamide
CID 107322053
2-cyano-N-(2-cyclohexyloxyethyl)acetamide
CID 63828131
N-(3-bromopropyl)-2-cyclobutylacetamide
CID 103164386
N-[3-[(2-cyclopentylacetyl)amino]propyl]-4-hydroxybenzamide
CID 100669857

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-[(2-cyclohexylacetyl)amino]propyl]acetamide?
The IUPAC name of 2-cyano-N-[3-[(2-cyclohexylacetyl)amino]propyl]acetamide (CID 108924398) is 2-cyano-N-[3-[(2-cyclohexylacetyl)amino]propyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-[(2-cyclohexylacetyl)amino]propyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-[(2-cyclohexylacetyl)amino]propyl]acetamide is N#CCC(=O)NCCCNC(=O)CC1CCCCC1.
What is the InChIKey of 2-cyano-N-[3-[(2-cyclohexylacetyl)amino]propyl]acetamide?
The InChIKey is ZUVBXOYBCAQNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c15-8-7-13(18)16-9-4-10-17-14(19)11-12-5-2-1-3-6-12/h12H,1-7,9-11H2,(H,16,18)(H,17,19).
What are the key properties of 2-cyano-N-[3-[(2-cyclohexylacetyl)amino]propyl]acetamide?
2-cyano-N-[3-[(2-cyclohexylacetyl)amino]propyl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-[(2-cyclohexylacetyl)amino]propyl]acetamide is sourced from PubChem (CID 108924398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).