tert-butyl N-(3-hydroxy-5-oxo-7-phenylheptyl)carbamate

C18H27NO4 — CID 134235525

IUPACtert-butyl N-(3-hydroxy-5-oxo-7-phenylheptyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC(O)CC(=O)CCc1ccccc1
InChIInChI=1S/C18H27NO4/c1-18(2,3)23-17(22)19-12-11-16(21)13-15(20)10-9-14-7-5-4-6-8-14/h4-8,16,21H,9-13H2,1-3H3,(H,19,22)
InChIKeyJASDQZKJXOHOOM-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.85
Rot. Bonds8

About tert-butyl N-(3-hydroxy-5-oxo-7-phenylheptyl)carbamate

tert-butyl N-(3-hydroxy-5-oxo-7-phenylheptyl)carbamate (PubChem CID 134235525) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is tert-butyl N-(3-hydroxy-5-oxo-7-phenylheptyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-hydroxy-5-oxo-7-phenylheptyl)carbamate
PubChem CID134235525
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Nametert-butyl N-(3-hydroxy-5-oxo-7-phenylheptyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC(O)CC(=O)CCc1ccccc1
InChIInChI=1S/C18H27NO4/c1-18(2,3)23-17(22)19-12-11-16(21)13-15(20)10-9-14-7-5-4-6-8-14/h4-8,16,21H,9-13H2,1-3H3,(H,19,22)
InChIKeyJASDQZKJXOHOOM-UHFFFAOYSA-N
XLogP2.85
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(3-hydroxy-5-oxo-7-phenylheptyl)carbamate 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

tert-butyl N-(2-hydroxy-5-phenylpentyl)carbamate
CID 90776674
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
tert-butyl N-[(3S)-1-(1,5-diphenylpentan-3-ylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopentan-3-yl]carbamate
CID 130376694
tert-butyl N-[2-(1-hydroxy-3-phenylpropoxy)ethyl]carbamate
CID 71219268
tert-butyl N-[3-(1,5-diphenylpentan-3-ylamino)-3-oxopropyl]carbamate
CID 130376749
tert-butyl N-[(2S)-1-(1,5-diphenylpentan-3-ylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate
CID 130376708
(2S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxybutanoic acid
CID 121366415
tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
tert-butyl N-[6-(4-methoxyphenyl)-4-oxo-1-phenylhexan-2-yl]carbamate
CID 175048380
3-[3-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]phenyl]propanoic acid
CID 171885405
methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-phenylbutanoate
CID 156758863
tert-butyl N-[(3R)-5-methyl-1-phenylhexan-3-yl]carbamate
CID 102586940

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-hydroxy-5-oxo-7-phenylheptyl)carbamate?
The IUPAC name of tert-butyl N-(3-hydroxy-5-oxo-7-phenylheptyl)carbamate (CID 134235525) is tert-butyl N-(3-hydroxy-5-oxo-7-phenylheptyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-hydroxy-5-oxo-7-phenylheptyl)carbamate?
The canonical SMILES for tert-butyl N-(3-hydroxy-5-oxo-7-phenylheptyl)carbamate is CC(C)(C)OC(=O)NCCC(O)CC(=O)CCc1ccccc1.
What is the InChIKey of tert-butyl N-(3-hydroxy-5-oxo-7-phenylheptyl)carbamate?
The InChIKey is JASDQZKJXOHOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-18(2,3)23-17(22)19-12-11-16(21)13-15(20)10-9-14-7-5-4-6-8-14/h4-8,16,21H,9-13H2,1-3H3,(H,19,22).
What are the key properties of tert-butyl N-(3-hydroxy-5-oxo-7-phenylheptyl)carbamate?
tert-butyl N-(3-hydroxy-5-oxo-7-phenylheptyl)carbamate has a molecular weight of 321.42 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-hydroxy-5-oxo-7-phenylheptyl)carbamate is sourced from PubChem (CID 134235525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).