2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]butanediamide

C14H20N4O3 — CID 60849802

IUPAC2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]butanediamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)C(N)CC(N)=O)c1
InChIInChI=1S/C14H20N4O3/c1-3-17-13(20)9-5-4-8(2)11(6-9)18-14(21)10(15)7-12(16)19/h4-6,10H,3,7,15H2,1-2H3,(H2,16,19)(H,17,20)(H,18,21)
InChIKeyWCVFLUDHZGUDKE-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.11
Rot. Bonds6

About 2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]butanediamide

2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]butanediamide (PubChem CID 60849802) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]butanediamide
PubChem CID60849802
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]butanediamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)C(N)CC(N)=O)c1
InChIInChI=1S/C14H20N4O3/c1-3-17-13(20)9-5-4-8(2)11(6-9)18-14(21)10(15)7-12(16)19/h4-6,10H,3,7,15H2,1-2H3,(H2,16,19)(H,17,20)(H,18,21)
InChIKeyWCVFLUDHZGUDKE-UHFFFAOYSA-N
XLogP-0.11
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride
CID 119284386
3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-N-ethyl-4-methylbenzamide
CID 61178101
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-ethyl-4-methylbenzamide
CID 119284377
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride
CID 120667168
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
N-ethyl-3-[(2-hydroxy-2-phenylacetyl)amino]-4-methylbenzamide
CID 110895294
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,4-dimethylbenzamide
CID 61179907
N-ethyl-4-methyl-3-(pentan-3-ylamino)benzamide
CID 43734934
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylbenzamide
CID 119711747
3-[(4-amino-3-methoxybutanoyl)amino]-N-ethyl-4-methylbenzamide
CID 103154850
3-[[(2S)-2-aminobutanoyl]amino]-N,N,4-trimethylbenzamide
CID 79024817
N-ethyl-4-methyl-3-(1,2,2-tricyanoethenylamino)benzamide
CID 168606703

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]butanediamide?
The IUPAC name of 2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]butanediamide (CID 60849802) is 2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]butanediamide.
What is the SMILES notation for 2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]butanediamide?
The canonical SMILES for 2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]butanediamide is CCNC(=O)c1ccc(C)c(NC(=O)C(N)CC(N)=O)c1.
What is the InChIKey of 2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]butanediamide?
The InChIKey is WCVFLUDHZGUDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-3-17-13(20)9-5-4-8(2)11(6-9)18-14(21)10(15)7-12(16)19/h4-6,10H,3,7,15H2,1-2H3,(H2,16,19)(H,17,20)(H,18,21).
What are the key properties of 2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]butanediamide?
2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]butanediamide has a molecular weight of 292.34 g/mol, XLogP of -0.11, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]butanediamide is sourced from PubChem (CID 60849802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).