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

C18H23N3O2 — CID 100629601

IUPAC3-amino-4-(2-ethoxyanilino)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Nc2ccccc2OCC)c(N)c1
InChIInChI=1S/C18H23N3O2/c1-3-11-20-18(22)13-9-10-15(14(19)12-13)21-16-7-5-6-8-17(16)23-4-2/h5-10,12,21H,3-4,11,19H2,1-2H3,(H,20,22)
InChIKeyAPWNTQKRMJBMMI-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.55
Rot. Bonds7

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

3-amino-4-(2-ethoxyanilino)-N-propylbenzamide (PubChem CID 100629601) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-amino-4-(2-ethoxyanilino)-N-propylbenzamide.

Molecular Properties

Compound Name3-amino-4-(2-ethoxyanilino)-N-propylbenzamide
PubChem CID100629601
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-amino-4-(2-ethoxyanilino)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Nc2ccccc2OCC)c(N)c1
InChIInChI=1S/C18H23N3O2/c1-3-11-20-18(22)13-9-10-15(14(19)12-13)21-16-7-5-6-8-17(16)23-4-2/h5-10,12,21H,3-4,11,19H2,1-2H3,(H,20,22)
InChIKeyAPWNTQKRMJBMMI-UHFFFAOYSA-N
XLogP3.55
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.55
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-propylbenzamide
CID 100629061
3-amino-4-(2-methoxyanilino)-N-(2-methoxyethyl)benzamide
CID 100629126
3-amino-4-(2,5-dimethylanilino)-N-propylbenzamide
CID 100624447
1-N-(2-ethoxyphenyl)-4-iodobenzene-1,2-diamine
CID 66065259
3-amino-4-(3,5-dichloroanilino)-N-propylbenzamide
CID 100628629
3-amino-4-(3,4-dimethylanilino)-N-propylbenzamide
CID 100624621
3-amino-4-ethoxy-N-(2-hydroxyethyl)benzamide
CID 61093968
3-amino-4-anilino-N-ethylbenzamide
CID 82999542
3-amino-N-(2-methoxyethyl)-4-(naphthalen-1-ylamino)benzamide
CID 100625742
3-amino-4-(3-chloro-4-methoxyanilino)-N-propylbenzamide
CID 100631228
3-amino-4-ethoxy-N-hexylbenzamide
CID 61112297
4-amino-3-methoxy-N-propylbenzamide
CID 67095444

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-ethoxyanilino)-N-propylbenzamide?
The IUPAC name of 3-amino-4-(2-ethoxyanilino)-N-propylbenzamide (CID 100629601) is 3-amino-4-(2-ethoxyanilino)-N-propylbenzamide.
What is the SMILES notation for 3-amino-4-(2-ethoxyanilino)-N-propylbenzamide?
The canonical SMILES for 3-amino-4-(2-ethoxyanilino)-N-propylbenzamide is CCCNC(=O)c1ccc(Nc2ccccc2OCC)c(N)c1.
What is the InChIKey of 3-amino-4-(2-ethoxyanilino)-N-propylbenzamide?
The InChIKey is APWNTQKRMJBMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-11-20-18(22)13-9-10-15(14(19)12-13)21-16-7-5-6-8-17(16)23-4-2/h5-10,12,21H,3-4,11,19H2,1-2H3,(H,20,22).
What are the key properties of 3-amino-4-(2-ethoxyanilino)-N-propylbenzamide?
3-amino-4-(2-ethoxyanilino)-N-propylbenzamide has a molecular weight of 313.40 g/mol, XLogP of 3.55, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-ethoxyanilino)-N-propylbenzamide is sourced from PubChem (CID 100629601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).