3-amino-4-(2-methoxyanilino)-N-propylbenzamide

C17H21N3O2 — CID 100629061

IUPAC3-amino-4-(2-methoxyanilino)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Nc2ccccc2OC)c(N)c1
InChIInChI=1S/C17H21N3O2/c1-3-10-19-17(21)12-8-9-14(13(18)11-12)20-15-6-4-5-7-16(15)22-2/h4-9,11,20H,3,10,18H2,1-2H3,(H,19,21)
InChIKeyQILCSJCYBHPALO-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.16
Rot. Bonds6

About 3-amino-4-(2-methoxyanilino)-N-propylbenzamide

3-amino-4-(2-methoxyanilino)-N-propylbenzamide (PubChem CID 100629061) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-amino-4-(2-methoxyanilino)-N-propylbenzamide.

Molecular Properties

Compound Name3-amino-4-(2-methoxyanilino)-N-propylbenzamide
PubChem CID100629061
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-amino-4-(2-methoxyanilino)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Nc2ccccc2OC)c(N)c1
InChIInChI=1S/C17H21N3O2/c1-3-10-19-17(21)12-8-9-14(13(18)11-12)20-15-6-4-5-7-16(15)22-2/h4-9,11,20H,3,10,18H2,1-2H3,(H,19,21)
InChIKeyQILCSJCYBHPALO-UHFFFAOYSA-N
XLogP3.16
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(2-methoxyanilino)-N-(2-methoxyethyl)benzamide
CID 100629126
3-amino-4-(2-ethoxyanilino)-N-propylbenzamide
CID 100629601
3-amino-4-(3-chloro-4-methoxyanilino)-N-propylbenzamide
CID 100631228
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
3-amino-4-(2,5-dimethoxyanilino)-N-(2-methoxyethyl)benzamide
CID 100630644
3-amino-4-(3,4-dimethylanilino)-N-propylbenzamide
CID 100624621
3-amino-4-(2,5-dimethylanilino)-N-propylbenzamide
CID 100624447
3-amino-N-(2-methoxyethyl)-4-(naphthalen-1-ylamino)benzamide
CID 100625742
3-amino-4-(3,5-dichloroanilino)-N-propylbenzamide
CID 100628629
3-amino-4-anilino-N-ethylbenzamide
CID 82999542
3-acetamido-4-methoxy-N-propylbenzamide
CID 110764204
3-amino-4-(3,4-dichloroanilino)-N-propylbenzamide
CID 100628453

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-methoxyanilino)-N-propylbenzamide?
The IUPAC name of 3-amino-4-(2-methoxyanilino)-N-propylbenzamide (CID 100629061) is 3-amino-4-(2-methoxyanilino)-N-propylbenzamide.
What is the SMILES notation for 3-amino-4-(2-methoxyanilino)-N-propylbenzamide?
The canonical SMILES for 3-amino-4-(2-methoxyanilino)-N-propylbenzamide is CCCNC(=O)c1ccc(Nc2ccccc2OC)c(N)c1.
What is the InChIKey of 3-amino-4-(2-methoxyanilino)-N-propylbenzamide?
The InChIKey is QILCSJCYBHPALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-10-19-17(21)12-8-9-14(13(18)11-12)20-15-6-4-5-7-16(15)22-2/h4-9,11,20H,3,10,18H2,1-2H3,(H,19,21).
What are the key properties of 3-amino-4-(2-methoxyanilino)-N-propylbenzamide?
3-amino-4-(2-methoxyanilino)-N-propylbenzamide has a molecular weight of 299.37 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-methoxyanilino)-N-propylbenzamide is sourced from PubChem (CID 100629061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).