N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide

C19H23N3O2 — CID 54813237

IUPACN-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CNc2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H23N3O2/c1-4-18(23)21-15-6-5-7-16(11-15)22-19(24)12-20-17-9-13(2)8-14(3)10-17/h5-11,20H,4,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyLEEVGUQUIUUPAP-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.70
Rot. Bonds6

About N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide

N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide (PubChem CID 54813237) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide
PubChem CID54813237
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CNc2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H23N3O2/c1-4-18(23)21-15-6-5-7-16(11-15)22-19(24)12-20-17-9-13(2)8-14(3)10-17/h5-11,20H,4,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyLEEVGUQUIUUPAP-UHFFFAOYSA-N
XLogP3.70
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide
CID 39450231
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide
CID 54814253
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54813263
2-(3,5-dimethylanilino)-N-phenylacetamide
CID 7636819
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide
CID 54813402
2-(3,5-dimethylanilino)-N-phenylacetamide;hydrochloride
CID 50988159
N-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide
CID 54813452
N-[3-[[2-(butan-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833021
2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54831495
N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833198
N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835550
N-[3-[[2-(2-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833047

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide (CID 54813237) is N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)CNc2cc(C)cc(C)c2)c1.
What is the InChIKey of N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide?
The InChIKey is LEEVGUQUIUUPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-18(23)21-15-6-5-7-16(11-15)22-19(24)12-20-17-9-13(2)8-14(3)10-17/h5-11,20H,4,12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide?
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide has a molecular weight of 325.41 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54813237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).