N-(3-cyclohexyloxypropyl)-2-(prop-2-ynylamino)acetamide

C14H24N2O2 — CID 79286966

IUPACN-(3-cyclohexyloxypropyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCCCOC1CCCCC1
InChIInChI=1S/C14H24N2O2/c1-2-9-15-12-14(17)16-10-6-11-18-13-7-4-3-5-8-13/h1,13,15H,3-12H2,(H,16,17)
InChIKeyVUPWYNABPYWWJU-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.06
Rot. Bonds8

About N-(3-cyclohexyloxypropyl)-2-(prop-2-ynylamino)acetamide

N-(3-cyclohexyloxypropyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 79286966) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-2-(prop-2-ynylamino)acetamide
PubChem CID79286966
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-(3-cyclohexyloxypropyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCCCOC1CCCCC1
InChIInChI=1S/C14H24N2O2/c1-2-9-15-12-14(17)16-10-6-11-18-13-7-4-3-5-8-13/h1,13,15H,3-12H2,(H,16,17)
InChIKeyVUPWYNABPYWWJU-UHFFFAOYSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclohexyloxyethyl)-2-(cyclopropylmethylamino)acetamide
CID 63826704
N-(3-cyclohexyloxypropyl)-2-ethoxyacetamide
CID 60668714
N-(3-propan-2-yloxypropyl)-2-(prop-2-ynylamino)acetamide
CID 112722354
3-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275390
N-(2-cyclopentyloxyethyl)prop-2-yn-1-amine
CID 62567244
N-[4-(2-methoxyethoxy)butyl]-2-(prop-2-ynylamino)acetamide
CID 113463825
N-(3-cyclohexyloxypropyl)-2-piperidin-4-ylacetamide
CID 61275990
1-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908413
methyl (2S)-2-[[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]amino]-2-methylbutanoate
CID 95630658
5-(3-cyclohexyloxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62964201
N-[2-[[N-(3-cyclohexyloxypropyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-cyclopentylacetamide
CID 111397998
2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide
CID 24554342

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-2-(prop-2-ynylamino)acetamide (CID 79286966) is N-(3-cyclohexyloxypropyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)NCCCOC1CCCCC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is VUPWYNABPYWWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-9-15-12-14(17)16-10-6-11-18-13-7-4-3-5-8-13/h1,13,15H,3-12H2,(H,16,17).
What are the key properties of N-(3-cyclohexyloxypropyl)-2-(prop-2-ynylamino)acetamide?
N-(3-cyclohexyloxypropyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 252.36 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79286966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).