tert-butyl N-(3-butyl-3-hydroxy-1-phenylheptan-2-yl)carbamate

C22H37NO3 — CID 174995106

IUPACtert-butyl N-(3-butyl-3-hydroxy-1-phenylheptan-2-yl)carbamate
SMILESCCCCC(O)(CCCC)C(Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C22H37NO3/c1-6-8-15-22(25,16-9-7-2)19(17-18-13-11-10-12-14-18)23-20(24)26-21(3,4)5/h10-14,19,25H,6-9,15-17H2,1-5H3,(H,23,24)
InChIKeyOHXUCMCELBEOQC-UHFFFAOYSA-N
MW363.54 g/mol
LogP5.23
Rot. Bonds10

About tert-butyl N-(3-butyl-3-hydroxy-1-phenylheptan-2-yl)carbamate

tert-butyl N-(3-butyl-3-hydroxy-1-phenylheptan-2-yl)carbamate (PubChem CID 174995106) has the molecular formula C22H37NO3 and a molecular weight of 363.54 g/mol. Its IUPAC name is tert-butyl N-(3-butyl-3-hydroxy-1-phenylheptan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-butyl-3-hydroxy-1-phenylheptan-2-yl)carbamate
PubChem CID174995106
Molecular FormulaC22H37NO3
Molecular Weight363.54 g/mol
Exact Mass363.28
IUPAC Nametert-butyl N-(3-butyl-3-hydroxy-1-phenylheptan-2-yl)carbamate
SMILESCCCCC(O)(CCCC)C(Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C22H37NO3/c1-6-8-15-22(25,16-9-7-2)19(17-18-13-11-10-12-14-18)23-20(24)26-21(3,4)5/h10-14,19,25H,6-9,15-17H2,1-5H3,(H,23,24)
InChIKeyOHXUCMCELBEOQC-UHFFFAOYSA-N
XLogP5.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.54
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-2,2-difluoro-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 70348984
tert-butyl N-[(2S)-3-oxo-1-phenyloctan-2-yl]carbamate
CID 15858562
butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 71223995
tert-butyl N-[(2S)-3-hydroxy-3-phenylheptan-2-yl]carbamate
CID 59324588
lithium;hydride;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 174145347
tert-butyl N-[(2S)-4-(butylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
CID 69027551
tert-butyl N-(3-oxo-1-phenylpentan-2-yl)carbamate
CID 20726658
tert-butyl N-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]selanyl-3-phenylpropan-2-yl]carbamate
CID 102155876
tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
CID 10491812
tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 58912430
(2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 14020970
tert-butyl N-[(2S)-1-[4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]butylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 10918947

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-butyl-3-hydroxy-1-phenylheptan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(3-butyl-3-hydroxy-1-phenylheptan-2-yl)carbamate (CID 174995106) is tert-butyl N-(3-butyl-3-hydroxy-1-phenylheptan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-butyl-3-hydroxy-1-phenylheptan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-butyl-3-hydroxy-1-phenylheptan-2-yl)carbamate is CCCCC(O)(CCCC)C(Cc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-butyl-3-hydroxy-1-phenylheptan-2-yl)carbamate?
The InChIKey is OHXUCMCELBEOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO3/c1-6-8-15-22(25,16-9-7-2)19(17-18-13-11-10-12-14-18)23-20(24)26-21(3,4)5/h10-14,19,25H,6-9,15-17H2,1-5H3,(H,23,24).
What are the key properties of tert-butyl N-(3-butyl-3-hydroxy-1-phenylheptan-2-yl)carbamate?
tert-butyl N-(3-butyl-3-hydroxy-1-phenylheptan-2-yl)carbamate has a molecular weight of 363.54 g/mol, XLogP of 5.23, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-butyl-3-hydroxy-1-phenylheptan-2-yl)carbamate is sourced from PubChem (CID 174995106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).