[1-hydroxy-6-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid

C19H30N2O5 — CID 176912718

IUPAC[1-hydroxy-6-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid
SMILESCC(C)(CCc1ccccc1)OC(=O)NCCCCC(CO)NC(=O)O
InChIInChI=1S/C19H30N2O5/c1-19(2,12-11-15-8-4-3-5-9-15)26-18(25)20-13-7-6-10-16(14-22)21-17(23)24/h3-5,8-9,16,21-22H,6-7,10-14H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyUGIFGKHABXYZFA-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.92
Rot. Bonds11

About [1-hydroxy-6-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid

[1-hydroxy-6-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid (PubChem CID 176912718) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is [1-hydroxy-6-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-hydroxy-6-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid
PubChem CID176912718
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Name[1-hydroxy-6-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid
SMILESCC(C)(CCc1ccccc1)OC(=O)NCCCCC(CO)NC(=O)O
InChIInChI=1S/C19H30N2O5/c1-19(2,12-11-15-8-4-3-5-9-15)26-18(25)20-13-7-6-10-16(14-22)21-17(23)24/h3-5,8-9,16,21-22H,6-7,10-14H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyUGIFGKHABXYZFA-UHFFFAOYSA-N
XLogP2.92
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]propan-2-yl]carbamic acid
CID 141462729
benzyl N-[(5S)-6-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamate;methane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoic acid
CID 158091966
(3R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)heptanoic acid
CID 135375312
tert-butyl N-[6-(benzylamino)hexyl]carbamate
CID 10913810
[(4S)-5-hydroxy-4-(phenylmethoxycarbonylamino)pentyl]carbamic acid
CID 151722138
bis(2-methyl-4-phenylbutan-2-yl) oxalate
CID 163946478
benzyl N-[(3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate
CID 54311915
benzyl N-[(2S)-1-iodo-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate
CID 135063763
[6-(carboxyamino)-1-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid
CID 135204157
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[[4-phenyl-2-(2-phenylethyl)butanoyl]amino]pentan-2-yl]carbamate
CID 163992812
benzyl N-[(5S)-6-bromo-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamate
CID 165473241
(3S)-3,7-bis(phenylmethoxycarbonylamino)heptanoic acid
CID 11418942

Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-6-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid?
The IUPAC name of [1-hydroxy-6-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid (CID 176912718) is [1-hydroxy-6-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid.
What is the SMILES notation for [1-hydroxy-6-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid?
The canonical SMILES for [1-hydroxy-6-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid is CC(C)(CCc1ccccc1)OC(=O)NCCCCC(CO)NC(=O)O.
What is the InChIKey of [1-hydroxy-6-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid?
The InChIKey is UGIFGKHABXYZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O5/c1-19(2,12-11-15-8-4-3-5-9-15)26-18(25)20-13-7-6-10-16(14-22)21-17(23)24/h3-5,8-9,16,21-22H,6-7,10-14H2,1-2H3,(H,20,25)(H,23,24).
What are the key properties of [1-hydroxy-6-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid?
[1-hydroxy-6-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid has a molecular weight of 366.46 g/mol, XLogP of 2.92, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-6-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid is sourced from PubChem (CID 176912718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).