N-[4-(dimethylamino)phenyl]-3-(3-methoxyanilino)propanamide

C18H23N3O2 — CID 109039563

IUPACN-[4-(dimethylamino)phenyl]-3-(3-methoxyanilino)propanamide
SMILESCOc1cccc(NCCC(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C18H23N3O2/c1-21(2)16-9-7-14(8-10-16)20-18(22)11-12-19-15-5-4-6-17(13-15)23-3/h4-10,13,19H,11-12H2,1-3H3,(H,20,22)
InChIKeyNZNMGYDOJTUDQC-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.20
Rot. Bonds7

About N-[4-(dimethylamino)phenyl]-3-(3-methoxyanilino)propanamide

N-[4-(dimethylamino)phenyl]-3-(3-methoxyanilino)propanamide (PubChem CID 109039563) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-(3-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-(3-methoxyanilino)propanamide
PubChem CID109039563
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[4-(dimethylamino)phenyl]-3-(3-methoxyanilino)propanamide
SMILESCOc1cccc(NCCC(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C18H23N3O2/c1-21(2)16-9-7-14(8-10-16)20-18(22)11-12-19-15-5-4-6-17(13-15)23-3/h4-10,13,19H,11-12H2,1-3H3,(H,20,22)
InChIKeyNZNMGYDOJTUDQC-UHFFFAOYSA-N
XLogP3.20
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109041146
N-(3-methoxyphenyl)-3-(4-methylanilino)propanamide
CID 109034467
N-[4-(dimethylamino)phenyl]-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110424715
3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide
CID 109039637
3-(3-methoxyanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109039569
1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050069
1-[4-(dimethylamino)phenyl]-3-(3-methoxyphenyl)thiourea
CID 976494
3-(3-chloro-4-fluoroanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109038822
3-(3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109039607
3-(3-methoxyanilino)propanamide
CID 43131962
N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenoxy)propanamide
CID 110678384
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110606227

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-(3-methoxyanilino)propanamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-(3-methoxyanilino)propanamide (CID 109039563) is N-[4-(dimethylamino)phenyl]-3-(3-methoxyanilino)propanamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-(3-methoxyanilino)propanamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-(3-methoxyanilino)propanamide is COc1cccc(NCCC(=O)Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-(3-methoxyanilino)propanamide?
The InChIKey is NZNMGYDOJTUDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-21(2)16-9-7-14(8-10-16)20-18(22)11-12-19-15-5-4-6-17(13-15)23-3/h4-10,13,19H,11-12H2,1-3H3,(H,20,22).
What are the key properties of N-[4-(dimethylamino)phenyl]-3-(3-methoxyanilino)propanamide?
N-[4-(dimethylamino)phenyl]-3-(3-methoxyanilino)propanamide has a molecular weight of 313.40 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-(3-methoxyanilino)propanamide is sourced from PubChem (CID 109039563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).