3-amino-4-(3,4-dimethylanilino)-N-propylbenzamide

C18H23N3O — CID 100624621

IUPAC3-amino-4-(3,4-dimethylanilino)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Nc2ccc(C)c(C)c2)c(N)c1
InChIInChI=1S/C18H23N3O/c1-4-9-20-18(22)14-6-8-17(16(19)11-14)21-15-7-5-12(2)13(3)10-15/h5-8,10-11,21H,4,9,19H2,1-3H3,(H,20,22)
InChIKeyGMVRHQLURHBAHQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.77
Rot. Bonds5

About 3-amino-4-(3,4-dimethylanilino)-N-propylbenzamide

3-amino-4-(3,4-dimethylanilino)-N-propylbenzamide (PubChem CID 100624621) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-amino-4-(3,4-dimethylanilino)-N-propylbenzamide.

Molecular Properties

Compound Name3-amino-4-(3,4-dimethylanilino)-N-propylbenzamide
PubChem CID100624621
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-amino-4-(3,4-dimethylanilino)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Nc2ccc(C)c(C)c2)c(N)c1
InChIInChI=1S/C18H23N3O/c1-4-9-20-18(22)14-6-8-17(16(19)11-14)21-15-7-5-12(2)13(3)10-15/h5-8,10-11,21H,4,9,19H2,1-3H3,(H,20,22)
InChIKeyGMVRHQLURHBAHQ-UHFFFAOYSA-N
XLogP3.77
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(3,4-dichloroanilino)-N-propylbenzamide
CID 100628453
3-amino-4-(3,4-dimethylanilino)-N-methylbenzamide
CID 82988904
3-amino-4-(3-chloro-4-methoxyanilino)-N-propylbenzamide
CID 100631228
3-amino-4-(3,5-dichloroanilino)-N-propylbenzamide
CID 100628629
3-amino-4-(2,5-dimethylanilino)-N-propylbenzamide
CID 100624447
5-amino-2-(3,4-dimethylanilino)-N-propylbenzamide
CID 100643509
3-amino-4-(2-methoxyanilino)-N-propylbenzamide
CID 100629061
3-amino-4-(4-ethylanilino)-N-(2-methoxyethyl)benzamide
CID 100625211
3-amino-4-(2-ethoxyanilino)-N-propylbenzamide
CID 100629601
3-amino-4-anilino-N-ethylbenzamide
CID 82999542
3-amino-4-[[(1S)-1-phenylethyl]amino]-N-propylbenzamide
CID 100621942
4-amino-3-methoxy-N-propylbenzamide
CID 67095444

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3,4-dimethylanilino)-N-propylbenzamide?
The IUPAC name of 3-amino-4-(3,4-dimethylanilino)-N-propylbenzamide (CID 100624621) is 3-amino-4-(3,4-dimethylanilino)-N-propylbenzamide.
What is the SMILES notation for 3-amino-4-(3,4-dimethylanilino)-N-propylbenzamide?
The canonical SMILES for 3-amino-4-(3,4-dimethylanilino)-N-propylbenzamide is CCCNC(=O)c1ccc(Nc2ccc(C)c(C)c2)c(N)c1.
What is the InChIKey of 3-amino-4-(3,4-dimethylanilino)-N-propylbenzamide?
The InChIKey is GMVRHQLURHBAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-9-20-18(22)14-6-8-17(16(19)11-14)21-15-7-5-12(2)13(3)10-15/h5-8,10-11,21H,4,9,19H2,1-3H3,(H,20,22).
What are the key properties of 3-amino-4-(3,4-dimethylanilino)-N-propylbenzamide?
3-amino-4-(3,4-dimethylanilino)-N-propylbenzamide has a molecular weight of 297.40 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3,4-dimethylanilino)-N-propylbenzamide is sourced from PubChem (CID 100624621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).