2-methoxy-N-[[1-phenyl-4-[(2-phenylacetyl)amino]cyclohexyl]methyl]benzamide

C29H32N2O3 — CID 18009426

IUPAC2-methoxy-N-[[1-phenyl-4-[(2-phenylacetyl)amino]cyclohexyl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NCC1(c2ccccc2)CCC(NC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C29H32N2O3/c1-34-26-15-9-8-14-25(26)28(33)30-21-29(23-12-6-3-7-13-23)18-16-24(17-19-29)31-27(32)20-22-10-4-2-5-11-22/h2-15,24H,16-21H2,1H3,(H,30,33)(H,31,32)
InChIKeyXZOKAVQRCFCUKF-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.66
Rot. Bonds8

About 2-methoxy-N-[[1-phenyl-4-[(2-phenylacetyl)amino]cyclohexyl]methyl]benzamide

2-methoxy-N-[[1-phenyl-4-[(2-phenylacetyl)amino]cyclohexyl]methyl]benzamide (PubChem CID 18009426) has the molecular formula C29H32N2O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-methoxy-N-[[1-phenyl-4-[(2-phenylacetyl)amino]cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[1-phenyl-4-[(2-phenylacetyl)amino]cyclohexyl]methyl]benzamide
PubChem CID18009426
Molecular FormulaC29H32N2O3
Molecular Weight456.59 g/mol
Exact Mass456.24
IUPAC Name2-methoxy-N-[[1-phenyl-4-[(2-phenylacetyl)amino]cyclohexyl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NCC1(c2ccccc2)CCC(NC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C29H32N2O3/c1-34-26-15-9-8-14-25(26)28(33)30-21-29(23-12-6-3-7-13-23)18-16-24(17-19-29)31-27(32)20-22-10-4-2-5-11-22/h2-15,24H,16-21H2,1H3,(H,30,33)(H,31,32)
InChIKeyXZOKAVQRCFCUKF-UHFFFAOYSA-N
XLogP4.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
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N-(4-methoxybenzyl)[1,1'-biphenyl]-4-carboxamide
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2-{2-[3-(Piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
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2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide
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N,N-Diethyl-4-[(2-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10809678
2-ethoxy-N-{2-[(2-ethoxybenzoyl)amino]ethyl}benzamide
CID 1769368
N-[(adamantan-1-yl)methyl]-2-methoxybenzamide
CID 7750126
2-Methoxy-N-(phenylmethyl)benzamide
CID 700577
10-(cyclopropylmethyl)-N-[2-[4-(2-methoxyphenyl)phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 71463280
1-[4-(2-Methoxy-benzoyl)-piperazin-1-yl]-2-phenyl-ethanone
CID 787279

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-phenyl-4-[(2-phenylacetyl)amino]cyclohexyl]methyl]benzamide?
The IUPAC name of 2-methoxy-N-[[1-phenyl-4-[(2-phenylacetyl)amino]cyclohexyl]methyl]benzamide (CID 18009426) is 2-methoxy-N-[[1-phenyl-4-[(2-phenylacetyl)amino]cyclohexyl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[[1-phenyl-4-[(2-phenylacetyl)amino]cyclohexyl]methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[[1-phenyl-4-[(2-phenylacetyl)amino]cyclohexyl]methyl]benzamide is COc1ccccc1C(=O)NCC1(c2ccccc2)CCC(NC(=O)Cc2ccccc2)CC1.
What is the InChIKey of 2-methoxy-N-[[1-phenyl-4-[(2-phenylacetyl)amino]cyclohexyl]methyl]benzamide?
The InChIKey is XZOKAVQRCFCUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O3/c1-34-26-15-9-8-14-25(26)28(33)30-21-29(23-12-6-3-7-13-23)18-16-24(17-19-29)31-27(32)20-22-10-4-2-5-11-22/h2-15,24H,16-21H2,1H3,(H,30,33)(H,31,32).
What are the key properties of 2-methoxy-N-[[1-phenyl-4-[(2-phenylacetyl)amino]cyclohexyl]methyl]benzamide?
2-methoxy-N-[[1-phenyl-4-[(2-phenylacetyl)amino]cyclohexyl]methyl]benzamide has a molecular weight of 456.59 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-phenyl-4-[(2-phenylacetyl)amino]cyclohexyl]methyl]benzamide is sourced from PubChem (CID 18009426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).