(4-amino-3-hydroxy-5,6-diphenylhexyl)carbamic acid

C19H24N2O3 — CID 68975919

IUPAC(4-amino-3-hydroxy-5,6-diphenylhexyl)carbamic acid
SMILESNC(C(O)CCNC(=O)O)C(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O3/c20-18(17(22)11-12-21-19(23)24)16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,16-18,21-22H,11-13,20H2,(H,23,24)
InChIKeyJISZBXBIMMCTDZ-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.36
Rot. Bonds8

About (4-amino-3-hydroxy-5,6-diphenylhexyl)carbamic acid

(4-amino-3-hydroxy-5,6-diphenylhexyl)carbamic acid (PubChem CID 68975919) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (4-amino-3-hydroxy-5,6-diphenylhexyl)carbamic acid.

Molecular Properties

Compound Name(4-amino-3-hydroxy-5,6-diphenylhexyl)carbamic acid
PubChem CID68975919
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(4-amino-3-hydroxy-5,6-diphenylhexyl)carbamic acid
SMILESNC(C(O)CCNC(=O)O)C(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O3/c20-18(17(22)11-12-21-19(23)24)16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,16-18,21-22H,11-13,20H2,(H,23,24)
InChIKeyJISZBXBIMMCTDZ-UHFFFAOYSA-N
XLogP2.36
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-4-phenylbutyl)carbamic acid
CID 68670324
[(2S,4S,5S)-5-amino-4-hydroxy-6,7-diphenyl-1-(4-pyridin-2-ylphenyl)heptan-2-yl]carbamic acid
CID 67406953
(2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide
CID 97183881
diethyl 2-(1,2-diphenylethyl)propanedioate
CID 14047005
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
(2R,3S)-3,4-diphenylbutan-2-ol
CID 166439857
[(2S,4S,5S)-5-amino-4-hydroxy-7,7-dimethyl-1,6-diphenyloctan-2-yl]carbamic acid
CID 66832312
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
benzyl 2-amino-3-hydroxy-5-(phenylmethoxycarbonylamino)pentanoate;hydrochloride
CID 14037134
2-amino-N-(3-methyl-2-phenylbutyl)-3-phenylpropanamide;hydrochloride
CID 119294110

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-hydroxy-5,6-diphenylhexyl)carbamic acid?
The IUPAC name of (4-amino-3-hydroxy-5,6-diphenylhexyl)carbamic acid (CID 68975919) is (4-amino-3-hydroxy-5,6-diphenylhexyl)carbamic acid.
What is the SMILES notation for (4-amino-3-hydroxy-5,6-diphenylhexyl)carbamic acid?
The canonical SMILES for (4-amino-3-hydroxy-5,6-diphenylhexyl)carbamic acid is NC(C(O)CCNC(=O)O)C(Cc1ccccc1)c1ccccc1.
What is the InChIKey of (4-amino-3-hydroxy-5,6-diphenylhexyl)carbamic acid?
The InChIKey is JISZBXBIMMCTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c20-18(17(22)11-12-21-19(23)24)16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,16-18,21-22H,11-13,20H2,(H,23,24).
What are the key properties of (4-amino-3-hydroxy-5,6-diphenylhexyl)carbamic acid?
(4-amino-3-hydroxy-5,6-diphenylhexyl)carbamic acid has a molecular weight of 328.41 g/mol, XLogP of 2.36, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-hydroxy-5,6-diphenylhexyl)carbamic acid is sourced from PubChem (CID 68975919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).