tert-butyl N-[2-(5-hydroxypentan-2-ylamino)-3-phenylpropyl]carbamate

C19H32N2O3 — CID 136561418

IUPACtert-butyl N-[2-(5-hydroxypentan-2-ylamino)-3-phenylpropyl]carbamate
SMILESCC(CCCO)NC(CNC(=O)OC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C19H32N2O3/c1-15(9-8-12-22)21-17(13-16-10-6-5-7-11-16)14-20-18(23)24-19(2,3)4/h5-7,10-11,15,17,21-22H,8-9,12-14H2,1-4H3,(H,20,23)
InChIKeyUXLVHHBHYORPPA-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.87
Rot. Bonds9

About tert-butyl N-[2-(5-hydroxypentan-2-ylamino)-3-phenylpropyl]carbamate

tert-butyl N-[2-(5-hydroxypentan-2-ylamino)-3-phenylpropyl]carbamate (PubChem CID 136561418) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is tert-butyl N-[2-(5-hydroxypentan-2-ylamino)-3-phenylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5-hydroxypentan-2-ylamino)-3-phenylpropyl]carbamate
PubChem CID136561418
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Nametert-butyl N-[2-(5-hydroxypentan-2-ylamino)-3-phenylpropyl]carbamate
SMILESCC(CCCO)NC(CNC(=O)OC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C19H32N2O3/c1-15(9-8-12-22)21-17(13-16-10-6-5-7-11-16)14-20-18(23)24-19(2,3)4/h5-7,10-11,15,17,21-22H,8-9,12-14H2,1-4H3,(H,20,23)
InChIKeyUXLVHHBHYORPPA-UHFFFAOYSA-N
XLogP2.87
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]propyl]carbamate
CID 107862352
tert-butyl N-[2-(4-phenylbutan-2-ylamino)butyl]carbamate
CID 107251008
tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butyl]carbamate
CID 102730359
(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]carbamothioylamino]propanoic acid
CID 101484117
tert-butyl N-[4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate
CID 76601807
tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
CID 174720496
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
methyl (2R)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10565656
tert-butyl N-(1,6-diphenylhexan-2-yl)carbamate
CID 57094161
[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentan-2-yl]carbamic acid
CID 69442567
tert-butyl N-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]selanyl-3-phenylpropan-2-yl]carbamate
CID 102155876

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-hydroxypentan-2-ylamino)-3-phenylpropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(5-hydroxypentan-2-ylamino)-3-phenylpropyl]carbamate (CID 136561418) is tert-butyl N-[2-(5-hydroxypentan-2-ylamino)-3-phenylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5-hydroxypentan-2-ylamino)-3-phenylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5-hydroxypentan-2-ylamino)-3-phenylpropyl]carbamate is CC(CCCO)NC(CNC(=O)OC(C)(C)C)Cc1ccccc1.
What is the InChIKey of tert-butyl N-[2-(5-hydroxypentan-2-ylamino)-3-phenylpropyl]carbamate?
The InChIKey is UXLVHHBHYORPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-15(9-8-12-22)21-17(13-16-10-6-5-7-11-16)14-20-18(23)24-19(2,3)4/h5-7,10-11,15,17,21-22H,8-9,12-14H2,1-4H3,(H,20,23).
What are the key properties of tert-butyl N-[2-(5-hydroxypentan-2-ylamino)-3-phenylpropyl]carbamate?
tert-butyl N-[2-(5-hydroxypentan-2-ylamino)-3-phenylpropyl]carbamate has a molecular weight of 336.48 g/mol, XLogP of 2.87, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5-hydroxypentan-2-ylamino)-3-phenylpropyl]carbamate is sourced from PubChem (CID 136561418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).