4-amino-N-ethyl-3-[2-(3-methylbutoxy)ethylamino]benzamide

C16H27N3O2 — CID 63358449

IUPAC4-amino-N-ethyl-3-[2-(3-methylbutoxy)ethylamino]benzamide
SMILESCCNC(=O)c1ccc(N)c(NCCOCCC(C)C)c1
InChIInChI=1S/C16H27N3O2/c1-4-18-16(20)13-5-6-14(17)15(11-13)19-8-10-21-9-7-12(2)3/h5-6,11-12,19H,4,7-10,17H2,1-3H3,(H,18,20)
InChIKeyJMZJLDNAMLISSN-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.49
Rot. Bonds9

About 4-amino-N-ethyl-3-[2-(3-methylbutoxy)ethylamino]benzamide

4-amino-N-ethyl-3-[2-(3-methylbutoxy)ethylamino]benzamide (PubChem CID 63358449) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-[2-(3-methylbutoxy)ethylamino]benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-[2-(3-methylbutoxy)ethylamino]benzamide
PubChem CID63358449
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name4-amino-N-ethyl-3-[2-(3-methylbutoxy)ethylamino]benzamide
SMILESCCNC(=O)c1ccc(N)c(NCCOCCC(C)C)c1
InChIInChI=1S/C16H27N3O2/c1-4-18-16(20)13-5-6-14(17)15(11-13)19-8-10-21-9-7-12(2)3/h5-6,11-12,19H,4,7-10,17H2,1-3H3,(H,18,20)
InChIKeyJMZJLDNAMLISSN-UHFFFAOYSA-N
XLogP2.49
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-ethyl-4-[2-(3-methylbutoxy)ethylamino]benzamide
CID 82990131
4-amino-3-(2-ethoxyethylamino)-N-ethylbenzamide
CID 55190007
2-[2-amino-5-(ethylcarbamoyl)anilino]ethyl carbamate
CID 83201801
4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide
CID 63360956
4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide
CID 83116178
4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide
CID 63361145
4-chloro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine
CID 113315721
3-amino-N-ethyl-4-(5-methylhexylamino)benzamide
CID 82999486
4-amino-N-ethyl-3-(4-methylpentan-2-ylamino)benzamide
CID 55189478
tert-butyl N-[4-amino-3-[2-(3-methylbutoxy)ethylamino]phenyl]carbamate
CID 114199911
4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide
CID 63360616
4-amino-N-methyl-3-(3-propoxypropylamino)benzamide
CID 82940087

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-[2-(3-methylbutoxy)ethylamino]benzamide?
The IUPAC name of 4-amino-N-ethyl-3-[2-(3-methylbutoxy)ethylamino]benzamide (CID 63358449) is 4-amino-N-ethyl-3-[2-(3-methylbutoxy)ethylamino]benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-[2-(3-methylbutoxy)ethylamino]benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-[2-(3-methylbutoxy)ethylamino]benzamide is CCNC(=O)c1ccc(N)c(NCCOCCC(C)C)c1.
What is the InChIKey of 4-amino-N-ethyl-3-[2-(3-methylbutoxy)ethylamino]benzamide?
The InChIKey is JMZJLDNAMLISSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-18-16(20)13-5-6-14(17)15(11-13)19-8-10-21-9-7-12(2)3/h5-6,11-12,19H,4,7-10,17H2,1-3H3,(H,18,20).
What are the key properties of 4-amino-N-ethyl-3-[2-(3-methylbutoxy)ethylamino]benzamide?
4-amino-N-ethyl-3-[2-(3-methylbutoxy)ethylamino]benzamide has a molecular weight of 293.41 g/mol, XLogP of 2.49, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-[2-(3-methylbutoxy)ethylamino]benzamide is sourced from PubChem (CID 63358449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).