N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide

C17H24N2O2 — CID 108538982

IUPACN-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCNC(=O)C1CCCCC1
InChIInChI=1S/C17H24N2O2/c1-13-7-5-6-10-15(13)17(21)19-12-11-18-16(20)14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyDUVJDPVFHCQFAP-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.42
Rot. Bonds5

About N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide

N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide (PubChem CID 108538982) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide
PubChem CID108538982
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCNC(=O)C1CCCCC1
InChIInChI=1S/C17H24N2O2/c1-13-7-5-6-10-15(13)17(21)19-12-11-18-16(20)14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyDUVJDPVFHCQFAP-UHFFFAOYSA-N
XLogP2.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropylamino)ethyl]-2-methylbenzamide
CID 62663478
N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide
CID 9082220
ethane;N-(2-hydroxyethyl)-2-methylbenzamide
CID 143093743
2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 115747449
N-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]-2-methylbenzamide
CID 24632581
N-[2-(cyclohexanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide
CID 68725879
N-[2-(cyclohexanecarbonylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 55855187
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 8868826
N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide
CID 51165990
N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 120604417
cyclooctyl-(2-methylphenyl)methanone
CID 80602643
N-[2-(cyclohexanecarbonylamino)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 55806159

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide (CID 108538982) is N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCNC(=O)C1CCCCC1.
What is the InChIKey of N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide?
The InChIKey is DUVJDPVFHCQFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13-7-5-6-10-15(13)17(21)19-12-11-18-16(20)14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide?
N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide has a molecular weight of 288.39 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide is sourced from PubChem (CID 108538982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).