4-amino-N-ethyl-3-[3-hydroxypropyl(propan-2-yl)amino]benzamide

C15H25N3O2 — CID 63360980

IUPAC4-amino-N-ethyl-3-[3-hydroxypropyl(propan-2-yl)amino]benzamide
SMILESCCNC(=O)c1ccc(N)c(N(CCCO)C(C)C)c1
InChIInChI=1S/C15H25N3O2/c1-4-17-15(20)12-6-7-13(16)14(10-12)18(11(2)3)8-5-9-19/h6-7,10-11,19H,4-5,8-9,16H2,1-3H3,(H,17,20)
InChIKeyVMOIXOQGVAMSNZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.62
Rot. Bonds7

About 4-amino-N-ethyl-3-[3-hydroxypropyl(propan-2-yl)amino]benzamide

4-amino-N-ethyl-3-[3-hydroxypropyl(propan-2-yl)amino]benzamide (PubChem CID 63360980) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-[3-hydroxypropyl(propan-2-yl)amino]benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-[3-hydroxypropyl(propan-2-yl)amino]benzamide
PubChem CID63360980
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-amino-N-ethyl-3-[3-hydroxypropyl(propan-2-yl)amino]benzamide
SMILESCCNC(=O)c1ccc(N)c(N(CCCO)C(C)C)c1
InChIInChI=1S/C15H25N3O2/c1-4-17-15(20)12-6-7-13(16)14(10-12)18(11(2)3)8-5-9-19/h6-7,10-11,19H,4-5,8-9,16H2,1-3H3,(H,17,20)
InChIKeyVMOIXOQGVAMSNZ-UHFFFAOYSA-N
XLogP1.62
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.62
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

4-amino-N-ethyl-3-[methyl(3-methylbutyl)amino]benzamide
CID 55190535
4-amino-N-ethyl-3-[methyl(2-methylpropyl)amino]benzamide
CID 63360740
N-ethyl-3-[2-hydroxyethyl(propan-2-yl)amino]-4-nitrobenzamide
CID 82990338
4-amino-3-[butyl(ethyl)amino]-N-ethylbenzamide
CID 55190897
4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-ethylbenzamide
CID 55225782
2-[2-amino-5-(ethylcarbamoyl)-N-methylanilino]acetic acid
CID 55188575
4-amino-N-ethyl-3-(4-methylpentan-2-ylamino)benzamide
CID 55189478
4-amino-3-[2-cyanoethyl(methyl)amino]-N-ethylbenzamide
CID 55190898
3-amino-N-ethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzamide
CID 106036691
4-amino-N-ethyl-3-(hexan-2-ylamino)benzamide
CID 63358537
4-amino-N-ethyl-3-(2-hydroxyethoxy)benzamide
CID 63358641
3-amino-N-ethyl-4-[methyl(3-methylbutan-2-yl)amino]benzamide
CID 82999983

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-[3-hydroxypropyl(propan-2-yl)amino]benzamide?
The IUPAC name of 4-amino-N-ethyl-3-[3-hydroxypropyl(propan-2-yl)amino]benzamide (CID 63360980) is 4-amino-N-ethyl-3-[3-hydroxypropyl(propan-2-yl)amino]benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-[3-hydroxypropyl(propan-2-yl)amino]benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-[3-hydroxypropyl(propan-2-yl)amino]benzamide is CCNC(=O)c1ccc(N)c(N(CCCO)C(C)C)c1.
What is the InChIKey of 4-amino-N-ethyl-3-[3-hydroxypropyl(propan-2-yl)amino]benzamide?
The InChIKey is VMOIXOQGVAMSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-17-15(20)12-6-7-13(16)14(10-12)18(11(2)3)8-5-9-19/h6-7,10-11,19H,4-5,8-9,16H2,1-3H3,(H,17,20).
What are the key properties of 4-amino-N-ethyl-3-[3-hydroxypropyl(propan-2-yl)amino]benzamide?
4-amino-N-ethyl-3-[3-hydroxypropyl(propan-2-yl)amino]benzamide has a molecular weight of 279.38 g/mol, XLogP of 1.62, 7 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-[3-hydroxypropyl(propan-2-yl)amino]benzamide is sourced from PubChem (CID 63360980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).