ethyl N-[2-methyl-3-[[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]carbamate

C15H22N4O4 — CID 94794030

IUPACethyl N-[2-methyl-3-[[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(N[C@@H](C)C(=O)NC(=O)NC)c1C
InChIInChI=1S/C15H22N4O4/c1-5-23-15(22)18-12-8-6-7-11(9(12)2)17-10(3)13(20)19-14(21)16-4/h6-8,10,17H,5H2,1-4H3,(H,18,22)(H2,16,19,20,21)/t10-/m0/s1
InChIKeyYLUBXHYAANXDFP-JTQLQIEISA-N
MW322.37 g/mol
LogP1.82
Rot. Bonds5

About ethyl N-[2-methyl-3-[[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]carbamate

ethyl N-[2-methyl-3-[[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]carbamate (PubChem CID 94794030) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is ethyl N-[2-methyl-3-[[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-methyl-3-[[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]carbamate
PubChem CID94794030
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Nameethyl N-[2-methyl-3-[[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(N[C@@H](C)C(=O)NC(=O)NC)c1C
InChIInChI=1S/C15H22N4O4/c1-5-23-15(22)18-12-8-6-7-11(9(12)2)17-10(3)13(20)19-14(21)16-4/h6-8,10,17H,5H2,1-4H3,(H,18,22)(H2,16,19,20,21)/t10-/m0/s1
InChIKeyYLUBXHYAANXDFP-JTQLQIEISA-N
XLogP1.82
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]carbamate
CID 47068847
(2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide
CID 40973670
ethyl N-[2-methyl-3-[[(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 94797288
N-[3-[[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]butanamide
CID 94796277
2-(2-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43083891
ethyl N-[2-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate
CID 87044649
(2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide
CID 40973673
(2S)-2-(2,5-diethoxyanilino)-N-(methylcarbamoyl)propanamide
CID 94104980
methyl 3-(ethoxycarbonylamino)-2-methylbenzoate
CID 60731584
N-(tert-butylcarbamoyl)-2-(2,3-dimethylanilino)propanamide
CID 51242343
2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide
CID 43084470
2-(4-fluoro-2-methylanilino)-N-(methylcarbamoyl)propanamide
CID 43084052

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-methyl-3-[[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]carbamate?
The IUPAC name of ethyl N-[2-methyl-3-[[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]carbamate (CID 94794030) is ethyl N-[2-methyl-3-[[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-methyl-3-[[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[2-methyl-3-[[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]carbamate is CCOC(=O)Nc1cccc(N[C@@H](C)C(=O)NC(=O)NC)c1C.
What is the InChIKey of ethyl N-[2-methyl-3-[[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]carbamate?
The InChIKey is YLUBXHYAANXDFP-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22N4O4/c1-5-23-15(22)18-12-8-6-7-11(9(12)2)17-10(3)13(20)19-14(21)16-4/h6-8,10,17H,5H2,1-4H3,(H,18,22)(H2,16,19,20,21)/t10-/m0/s1.
What are the key properties of ethyl N-[2-methyl-3-[[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]carbamate?
ethyl N-[2-methyl-3-[[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]carbamate has a molecular weight of 322.37 g/mol, XLogP of 1.82, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-methyl-3-[[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]carbamate is sourced from PubChem (CID 94794030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).