4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide

C13H19N3O2 — CID 54862801

IUPAC4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)CCN)c(C)c1
InChIInChI=1S/C13H19N3O2/c1-3-15-13(18)10-4-5-11(9(2)8-10)16-12(17)6-7-14/h4-5,8H,3,6-7,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyGMSUDEBFBASHRL-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.03
Rot. Bonds5

About 4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide

4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide (PubChem CID 54862801) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide.

Molecular Properties

Compound Name4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide
PubChem CID54862801
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)CCN)c(C)c1
InChIInChI=1S/C13H19N3O2/c1-3-15-13(18)10-4-5-11(9(2)8-10)16-12(17)6-7-14/h4-5,8H,3,6-7,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyGMSUDEBFBASHRL-UHFFFAOYSA-N
XLogP1.03
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(2-aminoethoxy)acetyl]amino]-N-ethyl-3-methylbenzamide
CID 79473931
N-ethyl-3-methyl-4-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119714183
methyl 4-(3-aminopropanoylamino)-3-methylbenzoate
CID 43712706
3-(7-aminoheptanoylamino)-N-ethyl-4-methylbenzamide
CID 119714202
4-[2-(aminomethyl)pentanoylamino]-N-ethyl-3-methylbenzamide
CID 65229718
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
4-(butanoylamino)-N,3-dimethylbenzamide
CID 61216786
N-ethyl-4-[[2-(2-methoxyethylamino)acetyl]amino]-3-methylbenzamide;hydrochloride
CID 119714198
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-ethyl-3-methylbenzamide
CID 61179048
4-(4-aminobutanoylamino)-3-methyl-N-propan-2-ylbenzamide
CID 119300432
N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47264617
N-[3-(ethylamino)-3-oxopropyl]-4-hydrazinyl-3-methylbenzamide
CID 113411061

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide?
The IUPAC name of 4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide (CID 54862801) is 4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide.
What is the SMILES notation for 4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide?
The canonical SMILES for 4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide is CCNC(=O)c1ccc(NC(=O)CCN)c(C)c1.
What is the InChIKey of 4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide?
The InChIKey is GMSUDEBFBASHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-15-13(18)10-4-5-11(9(2)8-10)16-12(17)6-7-14/h4-5,8H,3,6-7,14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide?
4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide has a molecular weight of 249.31 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide is sourced from PubChem (CID 54862801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).