N-(3-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]acetamide

C17H23ClN2O — CID 54815757

IUPACN-(3-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CNCCC1=CCCCC1
InChIInChI=1S/C17H23ClN2O/c1-13-15(18)8-5-9-16(13)20-17(21)12-19-11-10-14-6-3-2-4-7-14/h5-6,8-9,19H,2-4,7,10-12H2,1H3,(H,20,21)
InChIKeyHMJCWUAIPIGENW-UHFFFAOYSA-N
MW306.84 g/mol
LogP4.07
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]acetamide

N-(3-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]acetamide (PubChem CID 54815757) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]acetamide
PubChem CID54815757
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CNCCC1=CCCCC1
InChIInChI=1S/C17H23ClN2O/c1-13-15(18)8-5-9-16(13)20-17(21)12-19-11-10-14-6-3-2-4-7-14/h5-6,8-9,19H,2-4,7,10-12H2,1H3,(H,20,21)
InChIKeyHMJCWUAIPIGENW-UHFFFAOYSA-N
XLogP4.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.07
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

4-(3-chloro-2-methylanilino)-2-[2-(cyclohexen-1-yl)ethylamino]-4-oxobutanoic acid
CID 3372986
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid
CID 43466013
2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54815445
N-(4-chlorophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]acetamide
CID 106174094
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435209
2-[2-(cyclohexen-1-yl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 108993808
N-(3-chloro-2-methylphenyl)-2-(3-phenylpropylamino)acetamide
CID 109005057
N-(3-chloro-2-methylphenyl)-2-[3-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 3280254
N-[4-(azepane-1-carbonyl)phenyl]-2-[2-(cyclohexen-1-yl)ethylamino]acetamide
CID 54815339
2-[2-(cyclopenten-1-yl)ethylamino]-N-methylacetamide
CID 106173871
2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 874393
N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54815622

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]acetamide (CID 54815757) is N-(3-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]acetamide is Cc1c(Cl)cccc1NC(=O)CNCCC1=CCCCC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]acetamide?
The InChIKey is HMJCWUAIPIGENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-13-15(18)8-5-9-16(13)20-17(21)12-19-11-10-14-6-3-2-4-7-14/h5-6,8-9,19H,2-4,7,10-12H2,1H3,(H,20,21).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]acetamide?
N-(3-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]acetamide has a molecular weight of 306.84 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]acetamide is sourced from PubChem (CID 54815757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).