N-(cyclohexylmethyl)-2-(prop-2-enylamino)acetamide

C12H22N2O — CID 78908843

IUPACN-(cyclohexylmethyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCC1CCCCC1
InChIInChI=1S/C12H22N2O/c1-2-8-13-10-12(15)14-9-11-6-4-3-5-7-11/h2,11,13H,1,3-10H2,(H,14,15)
InChIKeyFTDZGQWZEQMZFG-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.46
Rot. Bonds6

About N-(cyclohexylmethyl)-2-(prop-2-enylamino)acetamide

N-(cyclohexylmethyl)-2-(prop-2-enylamino)acetamide (PubChem CID 78908843) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(prop-2-enylamino)acetamide
PubChem CID78908843
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(cyclohexylmethyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCC1CCCCC1
InChIInChI=1S/C12H22N2O/c1-2-8-13-10-12(15)14-9-11-6-4-3-5-7-11/h2,11,13H,1,3-10H2,(H,14,15)
InChIKeyFTDZGQWZEQMZFG-UHFFFAOYSA-N
XLogP1.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclooctyl-2-(prop-2-enylamino)acetamide
CID 78908315
N-cyclopentyl-2-(prop-2-enylamino)acetamide
CID 28563506
2-(prop-2-enylamino)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
CID 79285873
prop-2-enyl N-(cyclohexylmethyl)carbamate
CID 137320456
N-(cyclohexylmethyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
CID 78804990
N-(cyclohexylmethyl)-2-(3-ethoxypropylamino)acetamide
CID 3226695
N-(cyclohexylmethyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119672529
2-(azetidin-3-yl)-N-(cyclohexylmethyl)acetamide
CID 64615957
2-(cyclohexylamino)-N-(cyclopropylmethyl)acetamide
CID 28565073
N-[(1R)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide
CID 81388659
N-[(1S)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide
CID 81388626
2-(cyclooctylmethylamino)-N-methylacetamide
CID 134293833

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(prop-2-enylamino)acetamide (CID 78908843) is N-(cyclohexylmethyl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(prop-2-enylamino)acetamide?
The InChIKey is FTDZGQWZEQMZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-8-13-10-12(15)14-9-11-6-4-3-5-7-11/h2,11,13H,1,3-10H2,(H,14,15).
What are the key properties of N-(cyclohexylmethyl)-2-(prop-2-enylamino)acetamide?
N-(cyclohexylmethyl)-2-(prop-2-enylamino)acetamide has a molecular weight of 210.32 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 78908843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).