4-[(2-chlorophenyl)methoxy]-N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide

C24H29ClN2O4 — CID 55952071

IUPAC4-[(2-chlorophenyl)methoxy]-N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCC(=O)NC2CCCCC2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C24H29ClN2O4/c1-30-22-15-17(11-12-21(22)31-16-18-7-5-6-10-20(18)25)24(29)26-14-13-23(28)27-19-8-3-2-4-9-19/h5-7,10-12,15,19H,2-4,8-9,13-14,16H2,1H3,(H,26,29)(H,27,28)
InChIKeyMDQLWWGWPVOBQB-UHFFFAOYSA-N
MW444.96 g/mol
LogP4.50
Rot. Bonds9

About 4-[(2-chlorophenyl)methoxy]-N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide

4-[(2-chlorophenyl)methoxy]-N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide (PubChem CID 55952071) has the molecular formula C24H29ClN2O4 and a molecular weight of 444.96 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
PubChem CID55952071
Molecular FormulaC24H29ClN2O4
Molecular Weight444.96 g/mol
Exact Mass444.18
IUPAC Name4-[(2-chlorophenyl)methoxy]-N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCC(=O)NC2CCCCC2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C24H29ClN2O4/c1-30-22-15-17(11-12-21(22)31-16-18-7-5-6-10-20(18)25)24(29)26-14-13-23(28)27-19-8-3-2-4-9-19/h5-7,10-12,15,19H,2-4,8-9,13-14,16H2,1H3,(H,26,29)(H,27,28)
InChIKeyMDQLWWGWPVOBQB-UHFFFAOYSA-N
XLogP4.50
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 55502037
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
CID 17226027
4-[(2-chlorophenyl)methoxy]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methoxybenzamide
CID 55395887
4-[(2-chlorophenyl)methoxy]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-methoxybenzamide
CID 55835908
N-[1-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperidin-4-yl]-2-methylbenzamide
CID 39512397
4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
CID 4822526
4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 7780134
N-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191583
4-chloro-N-[3-(cyclopentylamino)-3-oxopropyl]benzamide
CID 9215115
N-[(2-chlorophenyl)methyl]-N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide
CID 25445999
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide (CID 55952071) is 4-[(2-chlorophenyl)methoxy]-N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide is COc1cc(C(=O)NCCC(=O)NC2CCCCC2)ccc1OCc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide?
The InChIKey is MDQLWWGWPVOBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O4/c1-30-22-15-17(11-12-21(22)31-16-18-7-5-6-10-20(18)25)24(29)26-14-13-23(28)27-19-8-3-2-4-9-19/h5-7,10-12,15,19H,2-4,8-9,13-14,16H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 4-[(2-chlorophenyl)methoxy]-N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide?
4-[(2-chlorophenyl)methoxy]-N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide has a molecular weight of 444.96 g/mol, XLogP of 4.50, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxy]-N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide is sourced from PubChem (CID 55952071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).