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

C32H33N3O — CID 3905889

IUPAC1-benzyl-1-[(9-ethylcarbazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea
SMILESCCn1c2ccccc2c2cc(CN(Cc3ccccc3)C(=O)Nc3ccc(C(C)C)cc3)ccc21
InChIInChI=1S/C32H33N3O/c1-4-35-30-13-9-8-12-28(30)29-20-25(14-19-31(29)35)22-34(21-24-10-6-5-7-11-24)32(36)33-27-17-15-26(16-18-27)23(2)3/h5-20,23H,4,21-22H2,1-3H3,(H,33,36)
InChIKeyAQANXBCGHCBYPT-UHFFFAOYSA-N
MW475.64 g/mol
LogP8.17
Rot. Bonds7

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

1-benzyl-1-[(9-ethylcarbazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea (PubChem CID 3905889) has the molecular formula C32H33N3O and a molecular weight of 475.64 g/mol. Its IUPAC name is 1-benzyl-1-[(9-ethylcarbazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-benzyl-1-[(9-ethylcarbazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea
PubChem CID3905889
Molecular FormulaC32H33N3O
Molecular Weight475.64 g/mol
Exact Mass475.26
IUPAC Name1-benzyl-1-[(9-ethylcarbazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea
SMILESCCn1c2ccccc2c2cc(CN(Cc3ccccc3)C(=O)Nc3ccc(C(C)C)cc3)ccc21
InChIInChI=1S/C32H33N3O/c1-4-35-30-13-9-8-12-28(30)29-20-25(14-19-31(29)35)22-34(21-24-10-6-5-7-11-24)32(36)33-27-17-15-26(16-18-27)23(2)3/h5-20,23H,4,21-22H2,1-3H3,(H,33,36)
InChIKeyAQANXBCGHCBYPT-UHFFFAOYSA-N
XLogP8.17
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.64
LogP ≤ 58.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(9-ethylcarbazol-3-yl)methyl]-1-phenyl-3-(4-propan-2-ylphenyl)urea
CID 4212364
3-(2,6-dimethylphenyl)-1-[(9-ethylcarbazol-3-yl)methyl]-1-(2-methylpropyl)urea
CID 42696405
1-[(9-ethylcarbazol-3-yl)methyl]-3-(3-methoxyphenyl)-1-(2-phenylethyl)urea
CID 3673901
1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea
CID 110896720
methyl 3-[benzyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate
CID 42698000
(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid
CID 99124071
1-benzyl-1-(4-methoxybutyl)-3-(4-propan-2-ylphenyl)urea
CID 60582881
1-(9-ethylcarbazol-3-yl)propan-2-ol
CID 117386647
N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide
CID 70245099
(2S)-2-benzylsulfanyl-N-(9-ethylcarbazol-3-yl)propanamide
CID 124582604
N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine
CID 160567842
2-(9-ethylcarbazol-3-yl)-2-hydroxyacetic acid
CID 117426376

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-[(9-ethylcarbazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-benzyl-1-[(9-ethylcarbazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea (CID 3905889) is 1-benzyl-1-[(9-ethylcarbazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-benzyl-1-[(9-ethylcarbazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-benzyl-1-[(9-ethylcarbazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea is CCn1c2ccccc2c2cc(CN(Cc3ccccc3)C(=O)Nc3ccc(C(C)C)cc3)ccc21.
What is the InChIKey of 1-benzyl-1-[(9-ethylcarbazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea?
The InChIKey is AQANXBCGHCBYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O/c1-4-35-30-13-9-8-12-28(30)29-20-25(14-19-31(29)35)22-34(21-24-10-6-5-7-11-24)32(36)33-27-17-15-26(16-18-27)23(2)3/h5-20,23H,4,21-22H2,1-3H3,(H,33,36).
What are the key properties of 1-benzyl-1-[(9-ethylcarbazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea?
1-benzyl-1-[(9-ethylcarbazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea has a molecular weight of 475.64 g/mol, XLogP of 8.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-[(9-ethylcarbazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 3905889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).