tert-butyl N-[4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate

C19H32N2O2 — CID 76601807

IUPACtert-butyl N-[4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate
SMILESCC(C)CNCCC(Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H32N2O2/c1-15(2)14-20-12-11-17(13-16-9-7-6-8-10-16)21-18(22)23-19(3,4)5/h6-10,15,17,20H,11-14H2,1-5H3,(H,21,22)
InChIKeyPJZMEHAAZXUCTE-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.76
Rot. Bonds8

About tert-butyl N-[4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate

tert-butyl N-[4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate (PubChem CID 76601807) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is tert-butyl N-[4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate
PubChem CID76601807
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Nametert-butyl N-[4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate
SMILESCC(C)CNCCC(Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H32N2O2/c1-15(2)14-20-12-11-17(13-16-9-7-6-8-10-16)21-18(22)23-19(3,4)5/h6-10,15,17,20H,11-14H2,1-5H3,(H,21,22)
InChIKeyPJZMEHAAZXUCTE-UHFFFAOYSA-N
XLogP3.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2S,3R)-3-hydroxy-4-(3-methylbutylamino)-1-phenylbutan-2-yl]carbamate
CID 91526659
tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
CID 3449857
(4R)-4-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-5-phenylpentanoic acid
CID 122210174
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-(5-amino-5-oxo-1-phenylpentan-2-yl)carbamate
CID 175023120
tert-butyl N-(1,6-diphenylhexan-2-yl)carbamate
CID 57094161
tert-butyl N-[(2S)-4-oxo-1-phenylbutan-2-yl]carbamate
CID 10015626
tert-butyl N-(4-oxo-1-phenylbutan-2-yl)carbamate
CID 14804348
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
tert-butyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]amino]acetate
CID 122600516
tert-butyl N-[(3R)-5-methyl-1-phenylhexan-3-yl]carbamate
CID 102586940
(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 118431287

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate (CID 76601807) is tert-butyl N-[4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate is CC(C)CNCCC(Cc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate?
The InChIKey is PJZMEHAAZXUCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-15(2)14-20-12-11-17(13-16-9-7-6-8-10-16)21-18(22)23-19(3,4)5/h6-10,15,17,20H,11-14H2,1-5H3,(H,21,22).
What are the key properties of tert-butyl N-[4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate?
tert-butyl N-[4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate has a molecular weight of 320.48 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate is sourced from PubChem (CID 76601807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).