1-[(1S,2S)-5-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]-3-[(1R)-1-naphthalen-1-ylethyl]urea

C29H28N2O2 — CID 10599062

IUPAC1-[(1S,2S)-5-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]-3-[(1R)-1-naphthalen-1-ylethyl]urea
SMILESCOc1ccc2c(c1)C[C@H](NC(=O)N[C@H](C)c1cccc3ccccc13)[C@H]2c1ccccc1
InChIInChI=1S/C29H28N2O2/c1-19(24-14-8-12-20-9-6-7-13-25(20)24)30-29(32)31-27-18-22-17-23(33-2)15-16-26(22)28(27)21-10-4-3-5-11-21/h3-17,19,27-28H,18H2,1-2H3,(H2,30,31,32)/t19-,27+,28+/m1/s1
InChIKeyNEZZDGWPVJKRNW-KEFSCGHKSA-N
MW436.56 g/mol
LogP5.97
Rot. Bonds5

About 1-[(1S,2S)-5-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]-3-[(1R)-1-naphthalen-1-ylethyl]urea

1-[(1S,2S)-5-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]-3-[(1R)-1-naphthalen-1-ylethyl]urea (PubChem CID 10599062) has the molecular formula C29H28N2O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 1-[(1S,2S)-5-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]-3-[(1R)-1-naphthalen-1-ylethyl]urea.

Molecular Properties

Compound Name1-[(1S,2S)-5-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]-3-[(1R)-1-naphthalen-1-ylethyl]urea
PubChem CID10599062
Molecular FormulaC29H28N2O2
Molecular Weight436.56 g/mol
Exact Mass436.22
IUPAC Name1-[(1S,2S)-5-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]-3-[(1R)-1-naphthalen-1-ylethyl]urea
SMILESCOc1ccc2c(c1)C[C@H](NC(=O)N[C@H](C)c1cccc3ccccc13)[C@H]2c1ccccc1
InChIInChI=1S/C29H28N2O2/c1-19(24-14-8-12-20-9-6-7-13-25(20)24)30-29(32)31-27-18-22-17-23(33-2)15-16-26(22)28(27)21-10-4-3-5-11-21/h3-17,19,27-28H,18H2,1-2H3,(H2,30,31,32)/t19-,27+,28+/m1/s1
InChIKeyNEZZDGWPVJKRNW-KEFSCGHKSA-N
XLogP5.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(1S,2S)-5-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]-3-[(1R)-1-naphthalen-1-ylethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[(1S,2S)-6-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]carbamate
CID 10567004
trans-(2R,3R)-N-[(1S)-1-naphthalen-1-ylethyl]-2,3-diphenylcyclopropane-1-carboxamide
CID 11440730
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 46607306
(1S,2S)-6-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine
CID 10562844
phenyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 102094307
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
1-(4-methoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657834
N-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9477584
4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 93017301
(2R)-2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]-2-phenylacetic acid
CID 14671446
(1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 30624473
1-(1-naphthalen-1-ylethyl)-3-(4-pyrimidin-2-yloxyphenyl)urea
CID 87044684

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-5-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]-3-[(1R)-1-naphthalen-1-ylethyl]urea?
The IUPAC name of 1-[(1S,2S)-5-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]-3-[(1R)-1-naphthalen-1-ylethyl]urea (CID 10599062) is 1-[(1S,2S)-5-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]-3-[(1R)-1-naphthalen-1-ylethyl]urea.
What is the SMILES notation for 1-[(1S,2S)-5-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]-3-[(1R)-1-naphthalen-1-ylethyl]urea?
The canonical SMILES for 1-[(1S,2S)-5-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]-3-[(1R)-1-naphthalen-1-ylethyl]urea is COc1ccc2c(c1)C[C@H](NC(=O)N[C@H](C)c1cccc3ccccc13)[C@H]2c1ccccc1.
What is the InChIKey of 1-[(1S,2S)-5-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]-3-[(1R)-1-naphthalen-1-ylethyl]urea?
The InChIKey is NEZZDGWPVJKRNW-KEFSCGHKSA-N. The full InChI is InChI=1S/C29H28N2O2/c1-19(24-14-8-12-20-9-6-7-13-25(20)24)30-29(32)31-27-18-22-17-23(33-2)15-16-26(22)28(27)21-10-4-3-5-11-21/h3-17,19,27-28H,18H2,1-2H3,(H2,30,31,32)/t19-,27+,28+/m1/s1.
What are the key properties of 1-[(1S,2S)-5-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]-3-[(1R)-1-naphthalen-1-ylethyl]urea?
1-[(1S,2S)-5-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]-3-[(1R)-1-naphthalen-1-ylethyl]urea has a molecular weight of 436.56 g/mol, XLogP of 5.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-5-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]-3-[(1R)-1-naphthalen-1-ylethyl]urea is sourced from PubChem (CID 10599062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).