2-methylpropyl N-[1-(benzylamino)-1-oxopropan-2-yl]carbamate

C15H22N2O3 — CID 123797558

IUPAC2-methylpropyl N-[1-(benzylamino)-1-oxopropan-2-yl]carbamate
SMILESCC(C)COC(=O)NC(C)C(=O)NCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11(2)10-20-15(19)17-12(3)14(18)16-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyCPRZLDVYDIPLFZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.07
Rot. Bonds6

About 2-methylpropyl N-[1-(benzylamino)-1-oxopropan-2-yl]carbamate

2-methylpropyl N-[1-(benzylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 123797558) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-methylpropyl N-[1-(benzylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[1-(benzylamino)-1-oxopropan-2-yl]carbamate
PubChem CID123797558
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-methylpropyl N-[1-(benzylamino)-1-oxopropan-2-yl]carbamate
SMILESCC(C)COC(=O)NC(C)C(=O)NCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11(2)10-20-15(19)17-12(3)14(18)16-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyCPRZLDVYDIPLFZ-UHFFFAOYSA-N
XLogP2.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54209319
2-[(2-aminoacetyl)amino]-N-benzylpropanamide
CID 119304547
N-benzyl-2-(methylcarbamoylamino)propanamide
CID 47377374
(2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide
CID 15296843
2-methylpropyl (2R)-3-(benzylamino)-2-(methoxymethyl)-3-oxopropanoate
CID 141445219
methyl propanoate;2-methylpropyl N-benzylcarbamate
CID 67451217
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593
1-benzyl-3-(2-methylpropoxy)urea
CID 103829351
3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]butanamide
CID 119750989
2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3-methylpentanamide;hydrochloride
CID 119750986
(2S)-2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3,3-dimethylbutanamide
CID 119750973
(2R)-2-(2-methylpropoxycarbonylamino)-4-phenylbutanoic acid
CID 58474049

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[1-(benzylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of 2-methylpropyl N-[1-(benzylamino)-1-oxopropan-2-yl]carbamate (CID 123797558) is 2-methylpropyl N-[1-(benzylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[1-(benzylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for 2-methylpropyl N-[1-(benzylamino)-1-oxopropan-2-yl]carbamate is CC(C)COC(=O)NC(C)C(=O)NCc1ccccc1.
What is the InChIKey of 2-methylpropyl N-[1-(benzylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is CPRZLDVYDIPLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)10-20-15(19)17-12(3)14(18)16-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 2-methylpropyl N-[1-(benzylamino)-1-oxopropan-2-yl]carbamate?
2-methylpropyl N-[1-(benzylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[1-(benzylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 123797558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).