tert-butyl N-[4-amino-3-[benzyl(propyl)amino]butan-2-yl]carbamate

C19H33N3O2 — CID 130834870

IUPACtert-butyl N-[4-amino-3-[benzyl(propyl)amino]butan-2-yl]carbamate
SMILESCCCN(Cc1ccccc1)C(CN)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H33N3O2/c1-6-12-22(14-16-10-8-7-9-11-16)17(13-20)15(2)21-18(23)24-19(3,4)5/h7-11,15,17H,6,12-14,20H2,1-5H3,(H,21,23)
InChIKeyKKVNLUQBZLHBPS-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.14
Rot. Bonds8

About tert-butyl N-[4-amino-3-[benzyl(propyl)amino]butan-2-yl]carbamate

tert-butyl N-[4-amino-3-[benzyl(propyl)amino]butan-2-yl]carbamate (PubChem CID 130834870) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-[benzyl(propyl)amino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-[benzyl(propyl)amino]butan-2-yl]carbamate
PubChem CID130834870
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Nametert-butyl N-[4-amino-3-[benzyl(propyl)amino]butan-2-yl]carbamate
SMILESCCCN(Cc1ccccc1)C(CN)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H33N3O2/c1-6-12-22(14-16-10-8-7-9-11-16)17(13-20)15(2)21-18(23)24-19(3,4)5/h7-11,15,17H,6,12-14,20H2,1-5H3,(H,21,23)
InChIKeyKKVNLUQBZLHBPS-UHFFFAOYSA-N
XLogP3.14
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butan-2-yl]carbamate
CID 131010587
tert-butyl N-[4-amino-3-[methyl-[(4-methylphenyl)methyl]amino]butan-2-yl]carbamate
CID 102729509
tert-butyl N-[4-amino-3-[benzyl(methyl)amino]-2-methylbutyl]carbamate
CID 130604556
ethyl 2-[benzyl-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]acetate
CID 175456215
tert-butyl N-[4-amino-3-[2-ethoxyethyl(ethyl)amino]butan-2-yl]carbamate
CID 102730097
tert-butyl N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]carbamate
CID 96581873
tert-butyl N-[(1S,2S)-1-[benzyl(hydroxy)amino]-1-cyanopropan-2-yl]carbamate
CID 7056297
(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 70496555
tert-butyl N-[1-[benzyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 86921437
tert-butyl N-[1-[benzyl(methyl)amino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 110409575
benzyl (2R,3S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutan-2-yl]diselanyl]butanoate
CID 46216918
tert-butyl N-[(2R,3S)-2-[benzyl(hydroxy)amino]-4-methylpentan-3-yl]carbamate
CID 130869227

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-[benzyl(propyl)amino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-[benzyl(propyl)amino]butan-2-yl]carbamate (CID 130834870) is tert-butyl N-[4-amino-3-[benzyl(propyl)amino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-[benzyl(propyl)amino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-[benzyl(propyl)amino]butan-2-yl]carbamate is CCCN(Cc1ccccc1)C(CN)C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-amino-3-[benzyl(propyl)amino]butan-2-yl]carbamate?
The InChIKey is KKVNLUQBZLHBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-6-12-22(14-16-10-8-7-9-11-16)17(13-20)15(2)21-18(23)24-19(3,4)5/h7-11,15,17H,6,12-14,20H2,1-5H3,(H,21,23).
What are the key properties of tert-butyl N-[4-amino-3-[benzyl(propyl)amino]butan-2-yl]carbamate?
tert-butyl N-[4-amino-3-[benzyl(propyl)amino]butan-2-yl]carbamate has a molecular weight of 335.49 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-amino-3-[benzyl(propyl)amino]butan-2-yl]carbamate is sourced from PubChem (CID 130834870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).