tert-butyl N-(1-benzamidopropan-2-yl)carbamate

C15H22N2O3 — CID 177434930

IUPACtert-butyl N-(1-benzamidopropan-2-yl)carbamate
SMILESCC(CNC(=O)c1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O3/c1-11(17-14(19)20-15(2,3)4)10-16-13(18)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyFJVQOBRQTSPLRK-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.33
Rot. Bonds4

About tert-butyl N-(1-benzamidopropan-2-yl)carbamate

tert-butyl N-(1-benzamidopropan-2-yl)carbamate (PubChem CID 177434930) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl N-(1-benzamidopropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-benzamidopropan-2-yl)carbamate
PubChem CID177434930
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl N-(1-benzamidopropan-2-yl)carbamate
SMILESCC(CNC(=O)c1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O3/c1-11(17-14(19)20-15(2,3)4)10-16-13(18)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyFJVQOBRQTSPLRK-UHFFFAOYSA-N
XLogP2.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 59855878
tert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate
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tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate
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4-phenyl-N-[2-[(4-phenylbenzoyl)amino]propyl]benzamide
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tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
CID 174720496
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
tert-butyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate
CID 15743702
tert-butyl N-[(2S,3S)-3-methyl-1-oxo-1-phenylpentan-2-yl]carbamate
CID 11098288
tert-butyl N-[(2R)-3-methyl-1-[(2-phenylacetyl)amino]butan-2-yl]carbamate
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tert-butyl N-[2-[4-(ethylcarbamoyl)anilino]propyl]carbamate
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tert-butyl N-[1-[(4-chlorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 20814870

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-benzamidopropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-benzamidopropan-2-yl)carbamate (CID 177434930) is tert-butyl N-(1-benzamidopropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-benzamidopropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-benzamidopropan-2-yl)carbamate is CC(CNC(=O)c1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-benzamidopropan-2-yl)carbamate?
The InChIKey is FJVQOBRQTSPLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(17-14(19)20-15(2,3)4)10-16-13(18)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of tert-butyl N-(1-benzamidopropan-2-yl)carbamate?
tert-butyl N-(1-benzamidopropan-2-yl)carbamate has a molecular weight of 278.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-benzamidopropan-2-yl)carbamate is sourced from PubChem (CID 177434930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).