1-benzyl-3-[bis(4-methoxyphenyl)methyl]urea

C23H24N2O3 — CID 38273727

IUPAC1-benzyl-3-[bis(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(C(NC(=O)NCc2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H24N2O3/c1-27-20-12-8-18(9-13-20)22(19-10-14-21(28-2)15-11-19)25-23(26)24-16-17-6-4-3-5-7-17/h3-15,22H,16H2,1-2H3,(H2,24,25,26)
InChIKeyKETCQACNGLLABM-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.29
Rot. Bonds7

About 1-benzyl-3-[bis(4-methoxyphenyl)methyl]urea

1-benzyl-3-[bis(4-methoxyphenyl)methyl]urea (PubChem CID 38273727) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-benzyl-3-[bis(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[bis(4-methoxyphenyl)methyl]urea
PubChem CID38273727
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name1-benzyl-3-[bis(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(C(NC(=O)NCc2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H24N2O3/c1-27-20-12-8-18(9-13-20)22(19-10-14-21(28-2)15-11-19)25-23(26)24-16-17-6-4-3-5-7-17/h3-15,22H,16H2,1-2H3,(H2,24,25,26)
InChIKeyKETCQACNGLLABM-UHFFFAOYSA-N
XLogP4.29
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-benzhydryl-N-[(4-methoxyphenyl)methyl]oxamide
CID 44902136
1-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 42954212
N-benzyl-2-(4-methoxyphenyl)propanamide
CID 102432443
1-benzhydryl-3-[(4-methoxyphenyl)methyl]thiourea
CID 8618623
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291
1-benzhydryl-3-(4-methoxyphenyl)urea
CID 11602403
2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 2190610
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
(2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid
CID 10612160
2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
CID 2964251

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[bis(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-benzyl-3-[bis(4-methoxyphenyl)methyl]urea (CID 38273727) is 1-benzyl-3-[bis(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-benzyl-3-[bis(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-benzyl-3-[bis(4-methoxyphenyl)methyl]urea is COc1ccc(C(NC(=O)NCc2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-benzyl-3-[bis(4-methoxyphenyl)methyl]urea?
The InChIKey is KETCQACNGLLABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-27-20-12-8-18(9-13-20)22(19-10-14-21(28-2)15-11-19)25-23(26)24-16-17-6-4-3-5-7-17/h3-15,22H,16H2,1-2H3,(H2,24,25,26).
What are the key properties of 1-benzyl-3-[bis(4-methoxyphenyl)methyl]urea?
1-benzyl-3-[bis(4-methoxyphenyl)methyl]urea has a molecular weight of 376.46 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[bis(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 38273727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).