3-amino-4-[cyclopropylmethyl(ethyl)amino]-N-ethylbenzamide

C15H23N3O — CID 82999772

IUPAC3-amino-4-[cyclopropylmethyl(ethyl)amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N(CC)CC2CC2)c(N)c1
InChIInChI=1S/C15H23N3O/c1-3-17-15(19)12-7-8-14(13(16)9-12)18(4-2)10-11-5-6-11/h7-9,11H,3-6,10,16H2,1-2H3,(H,17,19)
InChIKeyVAXMJIWIZKMFTP-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.25
Rot. Bonds6

About 3-amino-4-[cyclopropylmethyl(ethyl)amino]-N-ethylbenzamide

3-amino-4-[cyclopropylmethyl(ethyl)amino]-N-ethylbenzamide (PubChem CID 82999772) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-amino-4-[cyclopropylmethyl(ethyl)amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-amino-4-[cyclopropylmethyl(ethyl)amino]-N-ethylbenzamide
PubChem CID82999772
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-amino-4-[cyclopropylmethyl(ethyl)amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N(CC)CC2CC2)c(N)c1
InChIInChI=1S/C15H23N3O/c1-3-17-15(19)12-7-8-14(13(16)9-12)18(4-2)10-11-5-6-11/h7-9,11H,3-6,10,16H2,1-2H3,(H,17,19)
InChIKeyVAXMJIWIZKMFTP-UHFFFAOYSA-N
XLogP2.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-ethyl-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide
CID 82999998
4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-methylbenzamide
CID 107397106
methyl 4-amino-3-[cyclopropylmethyl(ethyl)amino]benzoate
CID 82796178
3-amino-4-[cyclopropylmethyl(propyl)amino]benzamide
CID 43588001
3-amino-N-ethyl-4-[methoxy(methyl)amino]benzamide
CID 82999693
3-amino-5-[cyclobutylmethyl(ethyl)amino]-N-ethylthiophene-2-carboxamide
CID 107403346
3-amino-N-ethyl-4-[methyl(3-methylbutan-2-yl)amino]benzamide
CID 82999983
3-amino-4-(dimethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411021
3-amino-4-[3-(dimethylamino)propyl-methylamino]-N-ethylbenzamide
CID 83000346
3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide
CID 61094001
4-amino-3-[butyl(ethyl)amino]-N-ethylbenzamide
CID 55190897
3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide
CID 82165922

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[cyclopropylmethyl(ethyl)amino]-N-ethylbenzamide?
The IUPAC name of 3-amino-4-[cyclopropylmethyl(ethyl)amino]-N-ethylbenzamide (CID 82999772) is 3-amino-4-[cyclopropylmethyl(ethyl)amino]-N-ethylbenzamide.
What is the SMILES notation for 3-amino-4-[cyclopropylmethyl(ethyl)amino]-N-ethylbenzamide?
The canonical SMILES for 3-amino-4-[cyclopropylmethyl(ethyl)amino]-N-ethylbenzamide is CCNC(=O)c1ccc(N(CC)CC2CC2)c(N)c1.
What is the InChIKey of 3-amino-4-[cyclopropylmethyl(ethyl)amino]-N-ethylbenzamide?
The InChIKey is VAXMJIWIZKMFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-17-15(19)12-7-8-14(13(16)9-12)18(4-2)10-11-5-6-11/h7-9,11H,3-6,10,16H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-4-[cyclopropylmethyl(ethyl)amino]-N-ethylbenzamide?
3-amino-4-[cyclopropylmethyl(ethyl)amino]-N-ethylbenzamide has a molecular weight of 261.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[cyclopropylmethyl(ethyl)amino]-N-ethylbenzamide is sourced from PubChem (CID 82999772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).