tert-butyl N-[2-(2-methylpentan-3-ylamino)-2-oxo-1-phenylethyl]carbamate

C19H30N2O3 — CID 143420982

IUPACtert-butyl N-[2-(2-methylpentan-3-ylamino)-2-oxo-1-phenylethyl]carbamate
SMILESCCC(NC(=O)C(NC(=O)OC(C)(C)C)c1ccccc1)C(C)C
InChIInChI=1S/C19H30N2O3/c1-7-15(13(2)3)20-17(22)16(14-11-9-8-10-12-14)21-18(23)24-19(4,5)6/h8-13,15-16H,7H2,1-6H3,(H,20,22)(H,21,23)
InChIKeyXHQPRGUYIMSPBR-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.80
Rot. Bonds6

About tert-butyl N-[2-(2-methylpentan-3-ylamino)-2-oxo-1-phenylethyl]carbamate

tert-butyl N-[2-(2-methylpentan-3-ylamino)-2-oxo-1-phenylethyl]carbamate (PubChem CID 143420982) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methylpentan-3-ylamino)-2-oxo-1-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methylpentan-3-ylamino)-2-oxo-1-phenylethyl]carbamate
PubChem CID143420982
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Nametert-butyl N-[2-(2-methylpentan-3-ylamino)-2-oxo-1-phenylethyl]carbamate
SMILESCCC(NC(=O)C(NC(=O)OC(C)(C)C)c1ccccc1)C(C)C
InChIInChI=1S/C19H30N2O3/c1-7-15(13(2)3)20-17(22)16(14-11-9-8-10-12-14)21-18(23)24-19(4,5)6/h8-13,15-16H,7H2,1-6H3,(H,20,22)(H,21,23)
InChIKeyXHQPRGUYIMSPBR-UHFFFAOYSA-N
XLogP3.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-2-phenylacetic acid
CID 90120378
tert-butyl N-[(1S)-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxo-1-phenylethyl]carbamate
CID 101461135
tert-butyl N-[2-(2-methylpropylamino)-2-oxo-1-phenylethyl]carbamate
CID 110406811
tert-butyl N-(2-hydrazinyl-2-oxo-1-phenylethyl)carbamate
CID 546260
tert-butyl N-[2-(iodoamino)-2-oxo-1-phenylethyl]carbamate
CID 87741813
tert-butyl N-[2-(methoxyamino)-2-oxo-1-phenylethyl]carbamate
CID 110611851
tert-butyl N-[3-methyl-1-(2-phenylbutanoylamino)butan-2-yl]carbamate
CID 86956665
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid;hydrochloride
CID 13017724
tert-butyl N-[(1S)-3-hydroxy-2-oxo-1-phenylpropyl]carbamate
CID 91260238
tert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate
CID 15864552
4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]benzoic acid
CID 172731528
tert-butyl N-[2-(2-cyanopropan-2-ylamino)-2-oxo-1-phenylethyl]carbamate
CID 110605601

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-methylpentan-3-ylamino)-2-oxo-1-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-methylpentan-3-ylamino)-2-oxo-1-phenylethyl]carbamate (CID 143420982) is tert-butyl N-[2-(2-methylpentan-3-ylamino)-2-oxo-1-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-methylpentan-3-ylamino)-2-oxo-1-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-methylpentan-3-ylamino)-2-oxo-1-phenylethyl]carbamate is CCC(NC(=O)C(NC(=O)OC(C)(C)C)c1ccccc1)C(C)C.
What is the InChIKey of tert-butyl N-[2-(2-methylpentan-3-ylamino)-2-oxo-1-phenylethyl]carbamate?
The InChIKey is XHQPRGUYIMSPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-7-15(13(2)3)20-17(22)16(14-11-9-8-10-12-14)21-18(23)24-19(4,5)6/h8-13,15-16H,7H2,1-6H3,(H,20,22)(H,21,23).
What are the key properties of tert-butyl N-[2-(2-methylpentan-3-ylamino)-2-oxo-1-phenylethyl]carbamate?
tert-butyl N-[2-(2-methylpentan-3-ylamino)-2-oxo-1-phenylethyl]carbamate has a molecular weight of 334.46 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-methylpentan-3-ylamino)-2-oxo-1-phenylethyl]carbamate is sourced from PubChem (CID 143420982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).