1-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-3-[(1S)-1-(4-phenylphenyl)ethyl]urea

C24H24N2O3 — CID 166350491

IUPAC1-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-3-[(1S)-1-(4-phenylphenyl)ethyl]urea
SMILESC[C@H](NC(=O)N[C@@H]1COc2ccccc2[C@H]1O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H24N2O3/c1-16(17-11-13-19(14-12-17)18-7-3-2-4-8-18)25-24(28)26-21-15-29-22-10-6-5-9-20(22)23(21)27/h2-14,16,21,23,27H,15H2,1H3,(H2,25,26,28)/t16-,21+,23+/m0/s1
InChIKeyAODJEGHOSYSFFO-POCHDABASA-N
MW388.47 g/mol
LogP4.21
Rot. Bonds4

About 1-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-3-[(1S)-1-(4-phenylphenyl)ethyl]urea

1-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-3-[(1S)-1-(4-phenylphenyl)ethyl]urea (PubChem CID 166350491) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-3-[(1S)-1-(4-phenylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-3-[(1S)-1-(4-phenylphenyl)ethyl]urea
PubChem CID166350491
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name1-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-3-[(1S)-1-(4-phenylphenyl)ethyl]urea
SMILESC[C@H](NC(=O)N[C@@H]1COc2ccccc2[C@H]1O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H24N2O3/c1-16(17-11-13-19(14-12-17)18-7-3-2-4-8-18)25-24(28)26-21-15-29-22-10-6-5-9-20(22)23(21)27/h2-14,16,21,23,27H,15H2,1H3,(H2,25,26,28)/t16-,21+,23+/m0/s1
InChIKeyAODJEGHOSYSFFO-POCHDABASA-N
XLogP4.21
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 71941344
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(4-phenylphenyl)ethyl]urea
CID 111630345
trans-(1R,2S)-1-amino-N-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide
CID 166354927
(2S)-N-[(3S,4S)-4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide
CID 134521718
1-[1-(4-bromophenyl)ethyl]-3-(9H-xanthen-9-yl)urea
CID 5305724
4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanoic acid
CID 81008483
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
2-methyl-N-[1-(4-phenylphenyl)ethyl]propanamide
CID 43011131
4-(2,3-dihydro-1-benzofuran-3-yl)-2-methylbutanoic acid
CID 81008371
N-(1-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648022
(2S)-N-[(3S,4S)-4-methylsulfanyl-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide
CID 146234615
N-[(1S)-1-(4-phenylphenyl)ethyl]cyclobutanecarboxamide
CID 25381115

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-3-[(1S)-1-(4-phenylphenyl)ethyl]urea?
The IUPAC name of 1-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-3-[(1S)-1-(4-phenylphenyl)ethyl]urea (CID 166350491) is 1-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-3-[(1S)-1-(4-phenylphenyl)ethyl]urea.
What is the SMILES notation for 1-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-3-[(1S)-1-(4-phenylphenyl)ethyl]urea?
The canonical SMILES for 1-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-3-[(1S)-1-(4-phenylphenyl)ethyl]urea is C[C@H](NC(=O)N[C@@H]1COc2ccccc2[C@H]1O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-3-[(1S)-1-(4-phenylphenyl)ethyl]urea?
The InChIKey is AODJEGHOSYSFFO-POCHDABASA-N. The full InChI is InChI=1S/C24H24N2O3/c1-16(17-11-13-19(14-12-17)18-7-3-2-4-8-18)25-24(28)26-21-15-29-22-10-6-5-9-20(22)23(21)27/h2-14,16,21,23,27H,15H2,1H3,(H2,25,26,28)/t16-,21+,23+/m0/s1.
What are the key properties of 1-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-3-[(1S)-1-(4-phenylphenyl)ethyl]urea?
1-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-3-[(1S)-1-(4-phenylphenyl)ethyl]urea has a molecular weight of 388.47 g/mol, XLogP of 4.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-3-[(1S)-1-(4-phenylphenyl)ethyl]urea is sourced from PubChem (CID 166350491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).