ethyl N-[3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]carbamate

C16H24N4O4 — CID 47068847

IUPACethyl N-[3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]carbamate
SMILESCCNC(=O)NC(=O)C(C)Nc1cccc(NC(=O)OCC)c1C
InChIInChI=1S/C16H24N4O4/c1-5-17-15(22)20-14(21)11(4)18-12-8-7-9-13(10(12)3)19-16(23)24-6-2/h7-9,11,18H,5-6H2,1-4H3,(H,19,23)(H2,17,20,21,22)
InChIKeyMOUBGTMRHKXWJR-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.21
Rot. Bonds6

About ethyl N-[3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]carbamate

ethyl N-[3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]carbamate (PubChem CID 47068847) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is ethyl N-[3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]carbamate
PubChem CID47068847
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Nameethyl N-[3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]carbamate
SMILESCCNC(=O)NC(=O)C(C)Nc1cccc(NC(=O)OCC)c1C
InChIInChI=1S/C16H24N4O4/c1-5-17-15(22)20-14(21)11(4)18-12-8-7-9-13(10(12)3)19-16(23)24-6-2/h7-9,11,18H,5-6H2,1-4H3,(H,19,23)(H2,17,20,21,22)
InChIKeyMOUBGTMRHKXWJR-UHFFFAOYSA-N
XLogP2.21
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze ethyl N-[3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[2-methyl-3-[[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 94794030
N-[3-[[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]butanamide
CID 94796277
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-(ethylcarbamoyl)-2-(2-fluoroanilino)propanamide
CID 43083893
2-(2-tert-butylanilino)-N-(ethylcarbamoyl)propanamide
CID 60679283
2-(2-bromo-3-chloroanilino)-N-(ethylcarbamoyl)propanamide
CID 103478867
1-(3-amino-2-methylphenyl)-3-ethylurea
CID 43164799
ethyl N-[2-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate
CID 87044649
2-(4-acetamidoanilino)-N-(ethylcarbamoyl)propanamide
CID 43083279
(2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide
CID 40973670
2-(2-ethoxy-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 47062079
2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 43083937

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]carbamate?
The IUPAC name of ethyl N-[3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]carbamate (CID 47068847) is ethyl N-[3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]carbamate?
The canonical SMILES for ethyl N-[3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]carbamate is CCNC(=O)NC(=O)C(C)Nc1cccc(NC(=O)OCC)c1C.
What is the InChIKey of ethyl N-[3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]carbamate?
The InChIKey is MOUBGTMRHKXWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-5-17-15(22)20-14(21)11(4)18-12-8-7-9-13(10(12)3)19-16(23)24-6-2/h7-9,11,18H,5-6H2,1-4H3,(H,19,23)(H2,17,20,21,22).
What are the key properties of ethyl N-[3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]carbamate?
ethyl N-[3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]carbamate has a molecular weight of 336.39 g/mol, XLogP of 2.21, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]carbamate is sourced from PubChem (CID 47068847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).