4-butoxy-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide

C20H30N2O3 — CID 24982875

IUPAC4-butoxy-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NC2CCC(C)CC2)cc1
InChIInChI=1S/C20H30N2O3/c1-3-4-13-25-18-11-7-16(8-12-18)20(24)21-14-19(23)22-17-9-5-15(2)6-10-17/h7-8,11-12,15,17H,3-6,9-10,13-14H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyBPDZFUWIEOBFBL-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.29
Rot. Bonds8

About 4-butoxy-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide

4-butoxy-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide (PubChem CID 24982875) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-butoxy-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
PubChem CID24982875
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name4-butoxy-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NC2CCC(C)CC2)cc1
InChIInChI=1S/C20H30N2O3/c1-3-4-13-25-18-11-7-16(8-12-18)20(24)21-14-19(23)22-17-9-5-15(2)6-10-17/h7-8,11-12,15,17H,3-6,9-10,13-14H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyBPDZFUWIEOBFBL-UHFFFAOYSA-N
XLogP3.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.29
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-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-4-butoxybenzamide
CID 24818401
4-amino-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 24692664
4-butoxy-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 55428317
4-butoxy-N-cyclobutylbenzamide
CID 71449411
4-butoxy-N-[2-[[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide
CID 97027635
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788243
N-[2-(cyclopentylamino)-2-oxoethyl]-4-methylbenzamide
CID 1262280
4-methoxy-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide
CID 33295122
4-butoxy-N-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]benzamide
CID 60589470
4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 7971592
N-[2-(cyclopropanecarbonylamino)ethyl]-4-pentoxybenzamide
CID 78779484
3-[(4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032521

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide (CID 24982875) is 4-butoxy-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide is CCCCOc1ccc(C(=O)NCC(=O)NC2CCC(C)CC2)cc1.
What is the InChIKey of 4-butoxy-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide?
The InChIKey is BPDZFUWIEOBFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-3-4-13-25-18-11-7-16(8-12-18)20(24)21-14-19(23)22-17-9-5-15(2)6-10-17/h7-8,11-12,15,17H,3-6,9-10,13-14H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-butoxy-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide?
4-butoxy-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide has a molecular weight of 346.47 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 24982875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).