N-(3-acetamidophenyl)-3-(N-methylanilino)propanamide

C18H21N3O2 — CID 109034676

IUPACN-(3-acetamidophenyl)-3-(N-methylanilino)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCN(C)c2ccccc2)c1
InChIInChI=1S/C18H21N3O2/c1-14(22)19-15-7-6-8-16(13-15)20-18(23)11-12-21(2)17-9-4-3-5-10-17/h3-10,13H,11-12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyZWNRINSTLJHVDS-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.11
Rot. Bonds6

About N-(3-acetamidophenyl)-3-(N-methylanilino)propanamide

N-(3-acetamidophenyl)-3-(N-methylanilino)propanamide (PubChem CID 109034676) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-(N-methylanilino)propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-(N-methylanilino)propanamide
PubChem CID109034676
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-(3-acetamidophenyl)-3-(N-methylanilino)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCN(C)c2ccccc2)c1
InChIInChI=1S/C18H21N3O2/c1-14(22)19-15-7-6-8-16(13-15)20-18(23)11-12-21(2)17-9-4-3-5-10-17/h3-10,13H,11-12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyZWNRINSTLJHVDS-UHFFFAOYSA-N
XLogP3.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminophenyl)-3-(N-methylanilino)propanamide
CID 16778596
N-(3,4-dimethylphenyl)-3-(N-methylanilino)propanamide
CID 109034636
N-[3-[[2-(N-methylanilino)acetyl]amino]phenyl]butanamide
CID 54817881
4-(3-acetamidoanilino)-4-oxobutanoic acid
CID 825460
N-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide
CID 17418766
N-(3-acetamidophenyl)-3-bromopropanamide
CID 115571578
N-(4-acetamidophenyl)-3-[benzyl(methyl)amino]propanamide
CID 109020641
N-(3-acetamidophenyl)-3-pyrrol-1-ylpropanamide
CID 110688727
3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 60987692
N-(3-aminophenyl)-2-(N-methylanilino)acetamide
CID 16779401
3-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109041146
N-[3-[acetyl(methyl)amino]phenyl]-3-phenylpropanamide
CID 46761793

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-(N-methylanilino)propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-(N-methylanilino)propanamide (CID 109034676) is N-(3-acetamidophenyl)-3-(N-methylanilino)propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-(N-methylanilino)propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-(N-methylanilino)propanamide is CC(=O)Nc1cccc(NC(=O)CCN(C)c2ccccc2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-(N-methylanilino)propanamide?
The InChIKey is ZWNRINSTLJHVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-14(22)19-15-7-6-8-16(13-15)20-18(23)11-12-21(2)17-9-4-3-5-10-17/h3-10,13H,11-12H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(3-acetamidophenyl)-3-(N-methylanilino)propanamide?
N-(3-acetamidophenyl)-3-(N-methylanilino)propanamide has a molecular weight of 311.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-(N-methylanilino)propanamide is sourced from PubChem (CID 109034676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).