1-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-3-(2-phenyl-1H-indol-3-yl)urea

C32H31N3O2 — CID 155968206

IUPAC1-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-3-(2-phenyl-1H-indol-3-yl)urea
SMILESCc1ccc(COc2ccc(CC(C)NC(=O)Nc3c(-c4ccccc4)[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C32H31N3O2/c1-22-12-14-25(15-13-22)21-37-27-18-16-24(17-19-27)20-23(2)33-32(36)35-31-28-10-6-7-11-29(28)34-30(31)26-8-4-3-5-9-26/h3-19,23,34H,20-21H2,1-2H3,(H2,33,35,36)
InChIKeyFSFDMCZDSWNXDU-UHFFFAOYSA-N
MW489.62 g/mol
LogP7.48
Rot. Bonds8

About 1-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-3-(2-phenyl-1H-indol-3-yl)urea

1-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-3-(2-phenyl-1H-indol-3-yl)urea (PubChem CID 155968206) has the molecular formula C32H31N3O2 and a molecular weight of 489.62 g/mol. Its IUPAC name is 1-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-3-(2-phenyl-1H-indol-3-yl)urea.

Molecular Properties

Compound Name1-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-3-(2-phenyl-1H-indol-3-yl)urea
PubChem CID155968206
Molecular FormulaC32H31N3O2
Molecular Weight489.62 g/mol
Exact Mass489.24
IUPAC Name1-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-3-(2-phenyl-1H-indol-3-yl)urea
SMILESCc1ccc(COc2ccc(CC(C)NC(=O)Nc3c(-c4ccccc4)[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C32H31N3O2/c1-22-12-14-25(15-13-22)21-37-27-18-16-24(17-19-27)20-23(2)33-32(36)35-31-28-10-6-7-11-29(28)34-30(31)26-8-4-3-5-9-26/h3-19,23,34H,20-21H2,1-2H3,(H2,33,35,36)
InChIKeyFSFDMCZDSWNXDU-UHFFFAOYSA-N
XLogP7.48
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 57.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-3-(2-phenyl-1H-indol-3-yl)urea with MolForge

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Related Compounds

2-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]acetamide;hydrochloride
CID 119316433
3-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]butanamide
CID 119771338
1-(2,5-dimethoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea
CID 53114266
2-phenyl-3-(4-phenylmethoxyphenyl)-1H-indole
CID 139885625
1-(2-methoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea
CID 53114255
tert-butyl (2S)-2-[[(2S)-4-methyl-2-[(4-methylphenyl)carbamoylamino]pentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 10231726
tert-butyl (2S)-2-[[(2S)-2-[(2,6-dimethylphenyl)carbamoylamino]-4-methylpentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 10167313
2-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-2-(oxan-4-yl)acetamide
CID 120791880
1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1H-indazole-3-carboxamide
CID 52777916
(2S)-2-[(2-iodoacetyl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 58683370
1-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-ol
CID 18927881

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-3-(2-phenyl-1H-indol-3-yl)urea?
The IUPAC name of 1-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-3-(2-phenyl-1H-indol-3-yl)urea (CID 155968206) is 1-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-3-(2-phenyl-1H-indol-3-yl)urea.
What is the SMILES notation for 1-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-3-(2-phenyl-1H-indol-3-yl)urea?
The canonical SMILES for 1-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-3-(2-phenyl-1H-indol-3-yl)urea is Cc1ccc(COc2ccc(CC(C)NC(=O)Nc3c(-c4ccccc4)[nH]c4ccccc34)cc2)cc1.
What is the InChIKey of 1-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-3-(2-phenyl-1H-indol-3-yl)urea?
The InChIKey is FSFDMCZDSWNXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O2/c1-22-12-14-25(15-13-22)21-37-27-18-16-24(17-19-27)20-23(2)33-32(36)35-31-28-10-6-7-11-29(28)34-30(31)26-8-4-3-5-9-26/h3-19,23,34H,20-21H2,1-2H3,(H2,33,35,36).
What are the key properties of 1-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-3-(2-phenyl-1H-indol-3-yl)urea?
1-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-3-(2-phenyl-1H-indol-3-yl)urea has a molecular weight of 489.62 g/mol, XLogP of 7.48, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-3-(2-phenyl-1H-indol-3-yl)urea is sourced from PubChem (CID 155968206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).