N-(2-acetamidoethyl)-3-(propanoylamino)benzamide

C14H19N3O3 — CID 47265307

IUPACN-(2-acetamidoethyl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)NCCNC(C)=O)c1
InChIInChI=1S/C14H19N3O3/c1-3-13(19)17-12-6-4-5-11(9-12)14(20)16-8-7-15-10(2)18/h4-6,9H,3,7-8H2,1-2H3,(H,15,18)(H,16,20)(H,17,19)
InChIKeyOUYIIWRPWWQWFY-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.90
Rot. Bonds6

About N-(2-acetamidoethyl)-3-(propanoylamino)benzamide

N-(2-acetamidoethyl)-3-(propanoylamino)benzamide (PubChem CID 47265307) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-(propanoylamino)benzamide
PubChem CID47265307
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(2-acetamidoethyl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)NCCNC(C)=O)c1
InChIInChI=1S/C14H19N3O3/c1-3-13(19)17-12-6-4-5-11(9-12)14(20)16-8-7-15-10(2)18/h4-6,9H,3,7-8H2,1-2H3,(H,15,18)(H,16,20)(H,17,19)
InChIKeyOUYIIWRPWWQWFY-UHFFFAOYSA-N
XLogP0.90
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-3-(propanoylamino)benzamide
CID 17309669
N-(3-acetylphenyl)propanamide
CID 903063
3-(propanoylamino)-N-prop-2-enylbenzamide
CID 47265411
3-acetamido-N-ethylbenzamide
CID 17230670
N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108541876
3-(propanoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 17309759
methyl (E)-5-[[3-(propanoylamino)benzoyl]amino]pent-2-enoate
CID 146099922
3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride
CID 119283116
3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52703555
3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050420
3-acetamido-N-(3-methylbutyl)benzamide
CID 17458569
3-acetamido-N-(3-aminopropyl)benzamide
CID 82335696

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3-(propanoylamino)benzamide?
The IUPAC name of N-(2-acetamidoethyl)-3-(propanoylamino)benzamide (CID 47265307) is N-(2-acetamidoethyl)-3-(propanoylamino)benzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3-(propanoylamino)benzamide?
The canonical SMILES for N-(2-acetamidoethyl)-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)NCCNC(C)=O)c1.
What is the InChIKey of N-(2-acetamidoethyl)-3-(propanoylamino)benzamide?
The InChIKey is OUYIIWRPWWQWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-13(19)17-12-6-4-5-11(9-12)14(20)16-8-7-15-10(2)18/h4-6,9H,3,7-8H2,1-2H3,(H,15,18)(H,16,20)(H,17,19).
What are the key properties of N-(2-acetamidoethyl)-3-(propanoylamino)benzamide?
N-(2-acetamidoethyl)-3-(propanoylamino)benzamide has a molecular weight of 277.32 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3-(propanoylamino)benzamide is sourced from PubChem (CID 47265307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).