4-methoxy-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide

C21H32N2O3 — CID 33295122

IUPAC4-methoxy-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide
SMILESCCC(C)(C)C1CCC(NC(=O)CNC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C21H32N2O3/c1-5-21(2,3)16-8-10-17(11-9-16)23-19(24)14-22-20(25)15-6-12-18(26-4)13-7-15/h6-7,12-13,16-17H,5,8-11,14H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyBVTRRDNQFVLAFO-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.54
Rot. Bonds7

About 4-methoxy-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide

4-methoxy-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide (PubChem CID 33295122) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 4-methoxy-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide
PubChem CID33295122
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name4-methoxy-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide
SMILESCCC(C)(C)C1CCC(NC(=O)CNC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C21H32N2O3/c1-5-21(2,3)16-8-10-17(11-9-16)23-19(24)14-22-20(25)15-6-12-18(26-4)13-7-15/h6-7,12-13,16-17H,5,8-11,14H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyBVTRRDNQFVLAFO-UHFFFAOYSA-N
XLogP3.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide
CID 27886797
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788243
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788329
4-butoxy-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 24982875
4-tert-butyl-N-[2-[(4-hydroxycyclohexyl)amino]-2-oxoethyl]benzamide
CID 110877644
2-(5-acetyl-2-methoxyphenyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
CID 18117011
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 8531905
N-[2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 94466660
N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methoxybenzamide
CID 54943363
N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-4-methoxybenzamide
CID 79601075
N-[2-(cyclopentylamino)-2-oxoethyl]-4-methylbenzamide
CID 1262280
4-tert-butyl-N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 46580126

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide (CID 33295122) is 4-methoxy-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide is CCC(C)(C)C1CCC(NC(=O)CNC(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of 4-methoxy-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide?
The InChIKey is BVTRRDNQFVLAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-5-21(2,3)16-8-10-17(11-9-16)23-19(24)14-22-20(25)15-6-12-18(26-4)13-7-15/h6-7,12-13,16-17H,5,8-11,14H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of 4-methoxy-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide?
4-methoxy-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide has a molecular weight of 360.50 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 33295122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).