1,3-diphenylpropan-2-yl(phenyl)carbamic acid

C22H21NO2 — CID 11051156

IUPAC1,3-diphenylpropan-2-yl(phenyl)carbamic acid
SMILESO=C(O)N(c1ccccc1)C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H21NO2/c24-22(25)23(20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15,21H,16-17H2,(H,24,25)
InChIKeyRRXDQKZLCVUWNJ-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.03
Rot. Bonds6

About 1,3-diphenylpropan-2-yl(phenyl)carbamic acid

1,3-diphenylpropan-2-yl(phenyl)carbamic acid (PubChem CID 11051156) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1,3-diphenylpropan-2-yl(phenyl)carbamic acid.

Molecular Properties

Compound Name1,3-diphenylpropan-2-yl(phenyl)carbamic acid
PubChem CID11051156
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name1,3-diphenylpropan-2-yl(phenyl)carbamic acid
SMILESO=C(O)N(c1ccccc1)C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H21NO2/c24-22(25)23(20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15,21H,16-17H2,(H,24,25)
InChIKeyRRXDQKZLCVUWNJ-UHFFFAOYSA-N
XLogP5.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(N-carboxyanilino)-3-phenylpropanoic acid
CID 151199694
phenyl(1,2,2-trifluoroethyl)carbamic acid
CID 126568170
tert-butyl-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamic acid
CID 68898508
(2R)-2-iodo-3-phenylpropanoic acid
CID 98007642
2-(dihydroxyamino)-3-phenylpropanoic acid
CID 22141935
bis(benzylsulfanyl)carbamic acid
CID 18407492
(4-phenylphenyl)-propan-2-ylcarbamic acid
CID 118254837
3-ethyl-1-methyl-1-(1-phenylbutan-2-yl)urea
CID 71994481
2-[N-(aminomethyl)anilino]-3-phenylpropanoic acid
CID 70086779
N-benzyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]nitrous amide
CID 102238133
1-[[4-(dimethylamino)phenyl]methyl]-3-[2-(dimethylamino)-3-phenylpropyl]-1-methylurea
CID 86912708
amino(benzyl)carbamic acid
CID 18704089

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylpropan-2-yl(phenyl)carbamic acid?
The IUPAC name of 1,3-diphenylpropan-2-yl(phenyl)carbamic acid (CID 11051156) is 1,3-diphenylpropan-2-yl(phenyl)carbamic acid.
What is the SMILES notation for 1,3-diphenylpropan-2-yl(phenyl)carbamic acid?
The canonical SMILES for 1,3-diphenylpropan-2-yl(phenyl)carbamic acid is O=C(O)N(c1ccccc1)C(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1,3-diphenylpropan-2-yl(phenyl)carbamic acid?
The InChIKey is RRXDQKZLCVUWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c24-22(25)23(20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15,21H,16-17H2,(H,24,25).
What are the key properties of 1,3-diphenylpropan-2-yl(phenyl)carbamic acid?
1,3-diphenylpropan-2-yl(phenyl)carbamic acid has a molecular weight of 331.42 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylpropan-2-yl(phenyl)carbamic acid is sourced from PubChem (CID 11051156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).