N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide

C15H23N3O2 — CID 47264617

IUPACN-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
SMILESCCNC(=O)c1ccc(NC(=O)NCC(C)C)c(C)c1
InChIInChI=1S/C15H23N3O2/c1-5-16-14(19)12-6-7-13(11(4)8-12)18-15(20)17-9-10(2)3/h6-8,10H,5,9H2,1-4H3,(H,16,19)(H2,17,18,20)
InChIKeyCEDBUXVRHUVYAY-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.52
Rot. Bonds5

About N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide

N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide (PubChem CID 47264617) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
PubChem CID47264617
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
SMILESCCNC(=O)c1ccc(NC(=O)NCC(C)C)c(C)c1
InChIInChI=1S/C15H23N3O2/c1-5-16-14(19)12-6-7-13(11(4)8-12)18-15(20)17-9-10(2)3/h6-8,10H,5,9H2,1-4H3,(H,16,19)(H2,17,18,20)
InChIKeyCEDBUXVRHUVYAY-UHFFFAOYSA-N
XLogP2.52
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-butan-2-yl]-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 95266886
N-[(2S)-butan-2-yl]-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 95266887
N-ethyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47238365
N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47200674
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-ethyl-3-methylbenzamide
CID 61179048
4-[2-(aminomethyl)pentanoylamino]-N-ethyl-3-methylbenzamide
CID 65229718
4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-3-methyl-N-(2-methylpropyl)benzamide
CID 75434274
4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide
CID 54862801
N-ethyl-3-methyl-4-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119714183
3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide
CID 86901347
N-ethyl-3-methyl-4-(1-pyridin-4-ylpropylcarbamoylamino)benzamide
CID 71870372
1-(5-acetyl-2-methylphenyl)-3-(2-methylpropyl)urea
CID 110612624

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide?
The IUPAC name of N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide (CID 47264617) is N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide.
What is the SMILES notation for N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide?
The canonical SMILES for N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide is CCNC(=O)c1ccc(NC(=O)NCC(C)C)c(C)c1.
What is the InChIKey of N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide?
The InChIKey is CEDBUXVRHUVYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-5-16-14(19)12-6-7-13(11(4)8-12)18-15(20)17-9-10(2)3/h6-8,10H,5,9H2,1-4H3,(H,16,19)(H2,17,18,20).
What are the key properties of N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide?
N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide has a molecular weight of 277.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide is sourced from PubChem (CID 47264617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).