1-[(9-ethylcarbazol-3-yl)methyl]-3-(3-methoxyphenyl)-1-(2-phenylethyl)urea

C31H31N3O2 — CID 3673901

IUPAC1-[(9-ethylcarbazol-3-yl)methyl]-3-(3-methoxyphenyl)-1-(2-phenylethyl)urea
SMILESCCn1c2ccccc2c2cc(CN(CCc3ccccc3)C(=O)Nc3cccc(OC)c3)ccc21
InChIInChI=1S/C31H31N3O2/c1-3-34-29-15-8-7-14-27(29)28-20-24(16-17-30(28)34)22-33(19-18-23-10-5-4-6-11-23)31(35)32-25-12-9-13-26(21-25)36-2/h4-17,20-21H,3,18-19,22H2,1-2H3,(H,32,35)
InChIKeyCMMJZMBLJKWWBI-UHFFFAOYSA-N
MW477.61 g/mol
LogP7.10
Rot. Bonds8

About 1-[(9-ethylcarbazol-3-yl)methyl]-3-(3-methoxyphenyl)-1-(2-phenylethyl)urea

1-[(9-ethylcarbazol-3-yl)methyl]-3-(3-methoxyphenyl)-1-(2-phenylethyl)urea (PubChem CID 3673901) has the molecular formula C31H31N3O2 and a molecular weight of 477.61 g/mol. Its IUPAC name is 1-[(9-ethylcarbazol-3-yl)methyl]-3-(3-methoxyphenyl)-1-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[(9-ethylcarbazol-3-yl)methyl]-3-(3-methoxyphenyl)-1-(2-phenylethyl)urea
PubChem CID3673901
Molecular FormulaC31H31N3O2
Molecular Weight477.61 g/mol
Exact Mass477.24
IUPAC Name1-[(9-ethylcarbazol-3-yl)methyl]-3-(3-methoxyphenyl)-1-(2-phenylethyl)urea
SMILESCCn1c2ccccc2c2cc(CN(CCc3ccccc3)C(=O)Nc3cccc(OC)c3)ccc21
InChIInChI=1S/C31H31N3O2/c1-3-34-29-15-8-7-14-27(29)28-20-24(16-17-30(28)34)22-33(19-18-23-10-5-4-6-11-23)31(35)32-25-12-9-13-26(21-25)36-2/h4-17,20-21H,3,18-19,22H2,1-2H3,(H,32,35)
InChIKeyCMMJZMBLJKWWBI-UHFFFAOYSA-N
XLogP7.10
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.61
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(anthracen-9-ylmethyl)-3-(3-methoxyphenyl)-1-(2-phenylethyl)urea
CID 3297746
1-benzyl-1-[(9-ethylcarbazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 3905889
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]-3-methylbutanamide
CID 42704197
1-ethyl-4-hydroxy-N-(3-methoxyphenyl)-2-oxoquinoline-3-carboxamide
CID 54679068
N',N'-dibenzyl-N-(3-methoxyphenyl)oxamide
CID 108519571
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]cyclohexanecarboxamide
CID 42704190
N-(3-methoxyphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8555015
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-fluorophenyl)-1-[(3-phenylmethoxyphenyl)methyl]urea
CID 42707828
1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxyphenyl)-1-(2-pyridin-2-ylethyl)urea
CID 42725112
phenyl N-(9-ethylcarbazol-3-yl)carbamate
CID 2182675
1-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-(3-methoxyphenyl)urea
CID 51328316
[4-[[butyl-[(3-methoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate
CID 4653596

Frequently Asked Questions

What is the IUPAC name of 1-[(9-ethylcarbazol-3-yl)methyl]-3-(3-methoxyphenyl)-1-(2-phenylethyl)urea?
The IUPAC name of 1-[(9-ethylcarbazol-3-yl)methyl]-3-(3-methoxyphenyl)-1-(2-phenylethyl)urea (CID 3673901) is 1-[(9-ethylcarbazol-3-yl)methyl]-3-(3-methoxyphenyl)-1-(2-phenylethyl)urea.
What is the SMILES notation for 1-[(9-ethylcarbazol-3-yl)methyl]-3-(3-methoxyphenyl)-1-(2-phenylethyl)urea?
The canonical SMILES for 1-[(9-ethylcarbazol-3-yl)methyl]-3-(3-methoxyphenyl)-1-(2-phenylethyl)urea is CCn1c2ccccc2c2cc(CN(CCc3ccccc3)C(=O)Nc3cccc(OC)c3)ccc21.
What is the InChIKey of 1-[(9-ethylcarbazol-3-yl)methyl]-3-(3-methoxyphenyl)-1-(2-phenylethyl)urea?
The InChIKey is CMMJZMBLJKWWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O2/c1-3-34-29-15-8-7-14-27(29)28-20-24(16-17-30(28)34)22-33(19-18-23-10-5-4-6-11-23)31(35)32-25-12-9-13-26(21-25)36-2/h4-17,20-21H,3,18-19,22H2,1-2H3,(H,32,35).
What are the key properties of 1-[(9-ethylcarbazol-3-yl)methyl]-3-(3-methoxyphenyl)-1-(2-phenylethyl)urea?
1-[(9-ethylcarbazol-3-yl)methyl]-3-(3-methoxyphenyl)-1-(2-phenylethyl)urea has a molecular weight of 477.61 g/mol, XLogP of 7.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(9-ethylcarbazol-3-yl)methyl]-3-(3-methoxyphenyl)-1-(2-phenylethyl)urea is sourced from PubChem (CID 3673901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).