1-[(9-ethylcarbazol-3-yl)methyl]-1-phenyl-3-(4-propan-2-ylphenyl)urea

C31H31N3O — CID 4212364

IUPAC1-[(9-ethylcarbazol-3-yl)methyl]-1-phenyl-3-(4-propan-2-ylphenyl)urea
SMILESCCn1c2ccccc2c2cc(CN(C(=O)Nc3ccc(C(C)C)cc3)c3ccccc3)ccc21
InChIInChI=1S/C31H31N3O/c1-4-33-29-13-9-8-12-27(29)28-20-23(14-19-30(28)33)21-34(26-10-6-5-7-11-26)31(35)32-25-17-15-24(16-18-25)22(2)3/h5-20,22H,4,21H2,1-3H3,(H,32,35)
InChIKeyZFXPXSVVKATMSG-UHFFFAOYSA-N
MW461.61 g/mol
LogP8.18
Rot. Bonds6

About 1-[(9-ethylcarbazol-3-yl)methyl]-1-phenyl-3-(4-propan-2-ylphenyl)urea

1-[(9-ethylcarbazol-3-yl)methyl]-1-phenyl-3-(4-propan-2-ylphenyl)urea (PubChem CID 4212364) has the molecular formula C31H31N3O and a molecular weight of 461.61 g/mol. Its IUPAC name is 1-[(9-ethylcarbazol-3-yl)methyl]-1-phenyl-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[(9-ethylcarbazol-3-yl)methyl]-1-phenyl-3-(4-propan-2-ylphenyl)urea
PubChem CID4212364
Molecular FormulaC31H31N3O
Molecular Weight461.61 g/mol
Exact Mass461.25
IUPAC Name1-[(9-ethylcarbazol-3-yl)methyl]-1-phenyl-3-(4-propan-2-ylphenyl)urea
SMILESCCn1c2ccccc2c2cc(CN(C(=O)Nc3ccc(C(C)C)cc3)c3ccccc3)ccc21
InChIInChI=1S/C31H31N3O/c1-4-33-29-13-9-8-12-27(29)28-20-23(14-19-30(28)33)21-34(26-10-6-5-7-11-26)31(35)32-25-17-15-24(16-18-25)22(2)3/h5-20,22H,4,21H2,1-3H3,(H,32,35)
InChIKeyZFXPXSVVKATMSG-UHFFFAOYSA-N
XLogP8.18
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.61
LogP ≤ 58.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-1-[(9-ethylcarbazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 3905889
(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid
CID 99124071
3-(2,6-dimethylphenyl)-1-[(9-ethylcarbazol-3-yl)methyl]-1-(2-methylpropyl)urea
CID 42696405
1-(9-ethylcarbazol-3-yl)propan-2-ol
CID 117386647
N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide
CID 70245099
N-benzyl-N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3-methylpentanediamide
CID 90300497
N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine
CID 160567842
1-[(9-ethylcarbazol-3-yl)methyl]-3-(3-methoxyphenyl)-1-(2-phenylethyl)urea
CID 3673901
2-[(9-ethylcarbazol-3-yl)methyl]-1,1-diphenylhydrazine
CID 59931550
2-(9-ethylcarbazol-3-yl)-2-hydroxyacetic acid
CID 117426376
(2S)-2-benzylsulfanyl-N-(9-ethylcarbazol-3-yl)propanamide
CID 124582604
N-(9-ethylcarbazol-3-yl)-2-methyl-3-pyridin-4-ylpropanamide
CID 70240283

Frequently Asked Questions

What is the IUPAC name of 1-[(9-ethylcarbazol-3-yl)methyl]-1-phenyl-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-[(9-ethylcarbazol-3-yl)methyl]-1-phenyl-3-(4-propan-2-ylphenyl)urea (CID 4212364) is 1-[(9-ethylcarbazol-3-yl)methyl]-1-phenyl-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[(9-ethylcarbazol-3-yl)methyl]-1-phenyl-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[(9-ethylcarbazol-3-yl)methyl]-1-phenyl-3-(4-propan-2-ylphenyl)urea is CCn1c2ccccc2c2cc(CN(C(=O)Nc3ccc(C(C)C)cc3)c3ccccc3)ccc21.
What is the InChIKey of 1-[(9-ethylcarbazol-3-yl)methyl]-1-phenyl-3-(4-propan-2-ylphenyl)urea?
The InChIKey is ZFXPXSVVKATMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O/c1-4-33-29-13-9-8-12-27(29)28-20-23(14-19-30(28)33)21-34(26-10-6-5-7-11-26)31(35)32-25-17-15-24(16-18-25)22(2)3/h5-20,22H,4,21H2,1-3H3,(H,32,35).
What are the key properties of 1-[(9-ethylcarbazol-3-yl)methyl]-1-phenyl-3-(4-propan-2-ylphenyl)urea?
1-[(9-ethylcarbazol-3-yl)methyl]-1-phenyl-3-(4-propan-2-ylphenyl)urea has a molecular weight of 461.61 g/mol, XLogP of 8.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(9-ethylcarbazol-3-yl)methyl]-1-phenyl-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 4212364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).