tert-butyl N-[(3S)-1-(2-acetylanilino)-3-methyl-1-oxopentan-2-yl]carbamate

C19H28N2O4 — CID 167063153

IUPACtert-butyl N-[(3S)-1-(2-acetylanilino)-3-methyl-1-oxopentan-2-yl]carbamate
SMILESCC[C@H](C)C(NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C(C)=O
InChIInChI=1S/C19H28N2O4/c1-7-12(2)16(21-18(24)25-19(4,5)6)17(23)20-15-11-9-8-10-14(15)13(3)22/h8-12,16H,7H2,1-6H3,(H,20,23)(H,21,24)/t12-,16?/m0/s1
InChIKeyHWDAOSONDXKPOP-HKALDPMFSA-N
MW348.44 g/mol
LogP3.77
Rot. Bonds6

About tert-butyl N-[(3S)-1-(2-acetylanilino)-3-methyl-1-oxopentan-2-yl]carbamate

tert-butyl N-[(3S)-1-(2-acetylanilino)-3-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 167063153) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-(2-acetylanilino)-3-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-(2-acetylanilino)-3-methyl-1-oxopentan-2-yl]carbamate
PubChem CID167063153
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Nametert-butyl N-[(3S)-1-(2-acetylanilino)-3-methyl-1-oxopentan-2-yl]carbamate
SMILESCC[C@H](C)C(NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C(C)=O
InChIInChI=1S/C19H28N2O4/c1-7-12(2)16(21-18(24)25-19(4,5)6)17(23)20-15-11-9-8-10-14(15)13(3)22/h8-12,16H,7H2,1-6H3,(H,20,23)(H,21,24)/t12-,16?/m0/s1
InChIKeyHWDAOSONDXKPOP-HKALDPMFSA-N
XLogP3.77
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(3S)-1-(2-acetylanilino)-3-methyl-1-oxopentan-2-yl]carbamate with MolForge

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Related Compounds

ethyl 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]benzoate
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2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]benzoic acid
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tert-butyl N-[1-(2-carbamoylanilino)-1-oxobutan-2-yl]carbamate
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tert-butyl N-[(2S,3S)-1-[4-fluoro-2-(hydroxymethyl)anilino]-3-methyl-1-oxopentan-2-yl]carbamate
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tert-butyl N-[(2S,3S)-3-methyl-1-oxo-1-phenylpentan-2-yl]carbamate
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tert-butyl N-[3-(4-hydroxyphenyl)-1-[[3-methyl-1-(naphthalen-1-ylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
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tert-butyl N-[1-[[1-(2,6-dimethylphenyl)-2-(2-methylanilino)-2-oxoethyl]-methylamino]-3-methyl-1-oxopentan-2-yl]carbamate
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2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenylpropanoic acid
CID 14256958
CID 123183364
CID 123183364
tert-butyl N-(1-hydrazinyl-3-methyl-1-oxopentan-2-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-(2-acetylanilino)-3-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1-(2-acetylanilino)-3-methyl-1-oxopentan-2-yl]carbamate (CID 167063153) is tert-butyl N-[(3S)-1-(2-acetylanilino)-3-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-(2-acetylanilino)-3-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-(2-acetylanilino)-3-methyl-1-oxopentan-2-yl]carbamate is CC[C@H](C)C(NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C(C)=O.
What is the InChIKey of tert-butyl N-[(3S)-1-(2-acetylanilino)-3-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is HWDAOSONDXKPOP-HKALDPMFSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-7-12(2)16(21-18(24)25-19(4,5)6)17(23)20-15-11-9-8-10-14(15)13(3)22/h8-12,16H,7H2,1-6H3,(H,20,23)(H,21,24)/t12-,16?/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1-(2-acetylanilino)-3-methyl-1-oxopentan-2-yl]carbamate?
tert-butyl N-[(3S)-1-(2-acetylanilino)-3-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 348.44 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-(2-acetylanilino)-3-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 167063153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).