benzyl N-methyl-N-[(2S)-1-[(6-methyl-2-oxo-1H-pyridin-3-yl)amino]-1-oxopropan-2-yl]carbamate

C18H21N3O4 — CID 67208093

IUPACbenzyl N-methyl-N-[(2S)-1-[(6-methyl-2-oxo-1H-pyridin-3-yl)amino]-1-oxopropan-2-yl]carbamate
SMILESCc1ccc(NC(=O)[C@H](C)N(C)C(=O)OCc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C18H21N3O4/c1-12-9-10-15(17(23)19-12)20-16(22)13(2)21(3)18(24)25-11-14-7-5-4-6-8-14/h4-10,13H,11H2,1-3H3,(H,19,23)(H,20,22)/t13-/m0/s1
InChIKeyJGWCEVPBUVOCBD-ZDUSSCGKSA-N
MW343.38 g/mol
LogP2.28
Rot. Bonds5

About benzyl N-methyl-N-[(2S)-1-[(6-methyl-2-oxo-1H-pyridin-3-yl)amino]-1-oxopropan-2-yl]carbamate

benzyl N-methyl-N-[(2S)-1-[(6-methyl-2-oxo-1H-pyridin-3-yl)amino]-1-oxopropan-2-yl]carbamate (PubChem CID 67208093) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is benzyl N-methyl-N-[(2S)-1-[(6-methyl-2-oxo-1H-pyridin-3-yl)amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-methyl-N-[(2S)-1-[(6-methyl-2-oxo-1H-pyridin-3-yl)amino]-1-oxopropan-2-yl]carbamate
PubChem CID67208093
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Namebenzyl N-methyl-N-[(2S)-1-[(6-methyl-2-oxo-1H-pyridin-3-yl)amino]-1-oxopropan-2-yl]carbamate
SMILESCc1ccc(NC(=O)[C@H](C)N(C)C(=O)OCc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C18H21N3O4/c1-12-9-10-15(17(23)19-12)20-16(22)13(2)21(3)18(24)25-11-14-7-5-4-6-8-14/h4-10,13H,11H2,1-3H3,(H,19,23)(H,20,22)/t13-/m0/s1
InChIKeyJGWCEVPBUVOCBD-ZDUSSCGKSA-N
XLogP2.28
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 75492678
ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 59729658
benzyl N-methyl-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamate
CID 10383504
(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]propanoic acid
CID 66973241
benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate
CID 130159197
(2R)-2-[2-oxoethyl(phenylmethoxycarbonyl)amino]propanoic acid
CID 22855125
nonyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 91699669
benzyl N-methyl-N-(1-methylsulfanylpropan-2-yl)carbamate
CID 67311271
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate
CID 22883911
(2S,3R)-3-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid
CID 14730227
2-[bis(phenylmethoxycarbonyl)amino]propanoic acid
CID 18466015

Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-[(2S)-1-[(6-methyl-2-oxo-1H-pyridin-3-yl)amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of benzyl N-methyl-N-[(2S)-1-[(6-methyl-2-oxo-1H-pyridin-3-yl)amino]-1-oxopropan-2-yl]carbamate (CID 67208093) is benzyl N-methyl-N-[(2S)-1-[(6-methyl-2-oxo-1H-pyridin-3-yl)amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-methyl-N-[(2S)-1-[(6-methyl-2-oxo-1H-pyridin-3-yl)amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-methyl-N-[(2S)-1-[(6-methyl-2-oxo-1H-pyridin-3-yl)amino]-1-oxopropan-2-yl]carbamate is Cc1ccc(NC(=O)[C@H](C)N(C)C(=O)OCc2ccccc2)c(=O)[nH]1.
What is the InChIKey of benzyl N-methyl-N-[(2S)-1-[(6-methyl-2-oxo-1H-pyridin-3-yl)amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is JGWCEVPBUVOCBD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-12-9-10-15(17(23)19-12)20-16(22)13(2)21(3)18(24)25-11-14-7-5-4-6-8-14/h4-10,13H,11H2,1-3H3,(H,19,23)(H,20,22)/t13-/m0/s1.
What are the key properties of benzyl N-methyl-N-[(2S)-1-[(6-methyl-2-oxo-1H-pyridin-3-yl)amino]-1-oxopropan-2-yl]carbamate?
benzyl N-methyl-N-[(2S)-1-[(6-methyl-2-oxo-1H-pyridin-3-yl)amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 343.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-[(2S)-1-[(6-methyl-2-oxo-1H-pyridin-3-yl)amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 67208093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).