[4-[2-[(4-ethylphenyl)methylamino]-3-methoxyphenyl]phenyl]carbamic acid

C23H24N2O3 — CID 142776008

IUPAC[4-[2-[(4-ethylphenyl)methylamino]-3-methoxyphenyl]phenyl]carbamic acid
SMILESCCc1ccc(CNc2c(OC)cccc2-c2ccc(NC(=O)O)cc2)cc1
InChIInChI=1S/C23H24N2O3/c1-3-16-7-9-17(10-8-16)15-24-22-20(5-4-6-21(22)28-2)18-11-13-19(14-12-18)25-23(26)27/h4-14,24-25H,3,15H2,1-2H3,(H,26,27)
InChIKeyCQXBCMBUXOBMHI-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.63
Rot. Bonds7

About [4-[2-[(4-ethylphenyl)methylamino]-3-methoxyphenyl]phenyl]carbamic acid

[4-[2-[(4-ethylphenyl)methylamino]-3-methoxyphenyl]phenyl]carbamic acid (PubChem CID 142776008) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is [4-[2-[(4-ethylphenyl)methylamino]-3-methoxyphenyl]phenyl]carbamic acid.

Molecular Properties

Compound Name[4-[2-[(4-ethylphenyl)methylamino]-3-methoxyphenyl]phenyl]carbamic acid
PubChem CID142776008
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name[4-[2-[(4-ethylphenyl)methylamino]-3-methoxyphenyl]phenyl]carbamic acid
SMILESCCc1ccc(CNc2c(OC)cccc2-c2ccc(NC(=O)O)cc2)cc1
InChIInChI=1S/C23H24N2O3/c1-3-16-7-9-17(10-8-16)15-24-22-20(5-4-6-21(22)28-2)18-11-13-19(14-12-18)25-23(26)27/h4-14,24-25H,3,15H2,1-2H3,(H,26,27)
InChIKeyCQXBCMBUXOBMHI-UHFFFAOYSA-N
XLogP5.63
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-2,6-dimethoxybenzamide
CID 596670
N-[4-(benzylamino)phenyl]-2,6-dimethoxybenzamide
CID 112981913
2-[(4-ethylphenyl)methylamino]-3-methylbenzoic acid
CID 107112483
3-(2,6-dimethoxyphenyl)-N-(4-ethylphenyl)propanamide
CID 100789404
1-(4-ethylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892216
N-[[4-(2-methoxyphenyl)phenyl]methyl]propanamide
CID 66848573
[4-[[(3-amino-6,7-dimethoxyquinolin-4-yl)amino]methyl]phenyl]carbamic acid
CID 139490412
1-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)urea
CID 108867766
N-[4-(benzylamino)phenyl]-2-methoxybenzamide
CID 112981909
1-benzyl-3-(2,6-dimethoxyphenyl)urea
CID 108867833
methyl 4-(benzylamino)-2-methoxybenzoate
CID 23068026
1-benzyl-3-[4-(4-methoxy-3-methylphenyl)phenyl]urea
CID 142000111

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(4-ethylphenyl)methylamino]-3-methoxyphenyl]phenyl]carbamic acid?
The IUPAC name of [4-[2-[(4-ethylphenyl)methylamino]-3-methoxyphenyl]phenyl]carbamic acid (CID 142776008) is [4-[2-[(4-ethylphenyl)methylamino]-3-methoxyphenyl]phenyl]carbamic acid.
What is the SMILES notation for [4-[2-[(4-ethylphenyl)methylamino]-3-methoxyphenyl]phenyl]carbamic acid?
The canonical SMILES for [4-[2-[(4-ethylphenyl)methylamino]-3-methoxyphenyl]phenyl]carbamic acid is CCc1ccc(CNc2c(OC)cccc2-c2ccc(NC(=O)O)cc2)cc1.
What is the InChIKey of [4-[2-[(4-ethylphenyl)methylamino]-3-methoxyphenyl]phenyl]carbamic acid?
The InChIKey is CQXBCMBUXOBMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-3-16-7-9-17(10-8-16)15-24-22-20(5-4-6-21(22)28-2)18-11-13-19(14-12-18)25-23(26)27/h4-14,24-25H,3,15H2,1-2H3,(H,26,27).
What are the key properties of [4-[2-[(4-ethylphenyl)methylamino]-3-methoxyphenyl]phenyl]carbamic acid?
[4-[2-[(4-ethylphenyl)methylamino]-3-methoxyphenyl]phenyl]carbamic acid has a molecular weight of 376.46 g/mol, XLogP of 5.63, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(4-ethylphenyl)methylamino]-3-methoxyphenyl]phenyl]carbamic acid is sourced from PubChem (CID 142776008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).