[(1S)-1-(3-hydroxyphenyl)ethyl]-(3-phenylbutyl)carbamic acid

C19H23NO3 — CID 66857029

IUPAC[(1S)-1-(3-hydroxyphenyl)ethyl]-(3-phenylbutyl)carbamic acid
SMILESCC(CCN(C(=O)O)[C@@H](C)c1cccc(O)c1)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-14(16-7-4-3-5-8-16)11-12-20(19(22)23)15(2)17-9-6-10-18(21)13-17/h3-10,13-15,21H,11-12H2,1-2H3,(H,22,23)/t14?,15-/m0/s1
InChIKeyGGUBRSITKSRWGV-LOACHALJSA-N
MW313.40 g/mol
LogP4.63
Rot. Bonds6

About [(1S)-1-(3-hydroxyphenyl)ethyl]-(3-phenylbutyl)carbamic acid

[(1S)-1-(3-hydroxyphenyl)ethyl]-(3-phenylbutyl)carbamic acid (PubChem CID 66857029) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is [(1S)-1-(3-hydroxyphenyl)ethyl]-(3-phenylbutyl)carbamic acid.

Molecular Properties

Compound Name[(1S)-1-(3-hydroxyphenyl)ethyl]-(3-phenylbutyl)carbamic acid
PubChem CID66857029
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name[(1S)-1-(3-hydroxyphenyl)ethyl]-(3-phenylbutyl)carbamic acid
SMILESCC(CCN(C(=O)O)[C@@H](C)c1cccc(O)c1)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-14(16-7-4-3-5-8-16)11-12-20(19(22)23)15(2)17-9-6-10-18(21)13-17/h3-10,13-15,21H,11-12H2,1-2H3,(H,22,23)/t14?,15-/m0/s1
InChIKeyGGUBRSITKSRWGV-LOACHALJSA-N
XLogP4.63
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1S)-1-(3-hydroxyphenyl)ethyl]-(3-phenylbutyl)carbamic acid 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

1-phenylethyl(propyl)carbamic acid
CID 57360234
2-chloroethyl(1-phenylethyl)carbamic acid
CID 57362032
4-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302133
2-[2-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 61327317
methylcarbamic acid;3-pentan-2-ylphenol
CID 174607568
(2S)-2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 61164790
3-[1-[2-aminoethyl(benzyl)amino]ethyl]phenol
CID 106511324
N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide
CID 112696419
3-[(1R)-1-(dimethylamino)ethyl]phenol
CID 10313270
2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide
CID 60953617
3-[(2S)-butan-2-yl]-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 94797724
1-phenylethyl(prop-2-enyl)carbamic acid
CID 57372880

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(3-hydroxyphenyl)ethyl]-(3-phenylbutyl)carbamic acid?
The IUPAC name of [(1S)-1-(3-hydroxyphenyl)ethyl]-(3-phenylbutyl)carbamic acid (CID 66857029) is [(1S)-1-(3-hydroxyphenyl)ethyl]-(3-phenylbutyl)carbamic acid.
What is the SMILES notation for [(1S)-1-(3-hydroxyphenyl)ethyl]-(3-phenylbutyl)carbamic acid?
The canonical SMILES for [(1S)-1-(3-hydroxyphenyl)ethyl]-(3-phenylbutyl)carbamic acid is CC(CCN(C(=O)O)[C@@H](C)c1cccc(O)c1)c1ccccc1.
What is the InChIKey of [(1S)-1-(3-hydroxyphenyl)ethyl]-(3-phenylbutyl)carbamic acid?
The InChIKey is GGUBRSITKSRWGV-LOACHALJSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14(16-7-4-3-5-8-16)11-12-20(19(22)23)15(2)17-9-6-10-18(21)13-17/h3-10,13-15,21H,11-12H2,1-2H3,(H,22,23)/t14?,15-/m0/s1.
What are the key properties of [(1S)-1-(3-hydroxyphenyl)ethyl]-(3-phenylbutyl)carbamic acid?
[(1S)-1-(3-hydroxyphenyl)ethyl]-(3-phenylbutyl)carbamic acid has a molecular weight of 313.40 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(3-hydroxyphenyl)ethyl]-(3-phenylbutyl)carbamic acid is sourced from PubChem (CID 66857029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).