N-[3-[2-[cyclohexyl(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-phenylbenzamide

C31H38N2O3 — CID 18672530

IUPACN-[3-[2-[cyclohexyl(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-phenylbenzamide
SMILESCOc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1OCCN(C(C)C)C1CCCCC1
InChIInChI=1S/C31H38N2O3/c1-23(2)33(26-14-8-5-9-15-26)20-21-36-30-22-25(18-19-29(30)35-3)32-31(34)28-17-11-10-16-27(28)24-12-6-4-7-13-24/h4,6-7,10-13,16-19,22-23,26H,5,8-9,14-15,20-21H2,1-3H3,(H,32,34)
InChIKeyKRIBDEBLZKGLTE-UHFFFAOYSA-N
MW486.66 g/mol
LogP7.04
Rot. Bonds10

About N-[3-[2-[cyclohexyl(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-phenylbenzamide

N-[3-[2-[cyclohexyl(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-phenylbenzamide (PubChem CID 18672530) has the molecular formula C31H38N2O3 and a molecular weight of 486.66 g/mol. Its IUPAC name is N-[3-[2-[cyclohexyl(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[3-[2-[cyclohexyl(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-phenylbenzamide
PubChem CID18672530
Molecular FormulaC31H38N2O3
Molecular Weight486.66 g/mol
Exact Mass486.29
IUPAC NameN-[3-[2-[cyclohexyl(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-phenylbenzamide
SMILESCOc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1OCCN(C(C)C)C1CCCCC1
InChIInChI=1S/C31H38N2O3/c1-23(2)33(26-14-8-5-9-15-26)20-21-36-30-22-25(18-19-29(30)35-3)32-31(34)28-17-11-10-16-27(28)24-12-6-4-7-13-24/h4,6-7,10-13,16-19,22-23,26H,5,8-9,14-15,20-21H2,1-3H3,(H,32,34)
InChIKeyKRIBDEBLZKGLTE-UHFFFAOYSA-N
XLogP7.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-[3-[2-[cyclohexyl(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide
CID 70148826
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6-phenylpyridine-3-carboxamide
CID 22459286
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-hydroxyphenyl)benzamide
CID 18672596
methyl 4-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]carbamoyl]phenyl]-3-methylbenzoate
CID 18980122
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-phenylbenzamide
CID 56988348
N-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 54781407
2-chloro-4-(3-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide
CID 142006320
methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate
CID 19428226
3-chloro-4-(2-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide
CID 142006317
2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide
CID 110602595
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-methoxyphenyl)benzamide
CID 18672554

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[cyclohexyl(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-phenylbenzamide?
The IUPAC name of N-[3-[2-[cyclohexyl(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-phenylbenzamide (CID 18672530) is N-[3-[2-[cyclohexyl(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-phenylbenzamide.
What is the SMILES notation for N-[3-[2-[cyclohexyl(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-phenylbenzamide?
The canonical SMILES for N-[3-[2-[cyclohexyl(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-phenylbenzamide is COc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1OCCN(C(C)C)C1CCCCC1.
What is the InChIKey of N-[3-[2-[cyclohexyl(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-phenylbenzamide?
The InChIKey is KRIBDEBLZKGLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N2O3/c1-23(2)33(26-14-8-5-9-15-26)20-21-36-30-22-25(18-19-29(30)35-3)32-31(34)28-17-11-10-16-27(28)24-12-6-4-7-13-24/h4,6-7,10-13,16-19,22-23,26H,5,8-9,14-15,20-21H2,1-3H3,(H,32,34).
What are the key properties of N-[3-[2-[cyclohexyl(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-phenylbenzamide?
N-[3-[2-[cyclohexyl(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-phenylbenzamide has a molecular weight of 486.66 g/mol, XLogP of 7.04, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[cyclohexyl(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-phenylbenzamide is sourced from PubChem (CID 18672530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).