4-amino-N-butyl-3-[2-(methylamino)-2-oxoethoxy]benzamide

C14H21N3O3 — CID 82070083

IUPAC4-amino-N-butyl-3-[2-(methylamino)-2-oxoethoxy]benzamide
SMILESCCCCNC(=O)c1ccc(N)c(OCC(=O)NC)c1
InChIInChI=1S/C14H21N3O3/c1-3-4-7-17-14(19)10-5-6-11(15)12(8-10)20-9-13(18)16-2/h5-6,8H,3-4,7,9,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyPYHFSTAPCYAKKL-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.92
Rot. Bonds7

About 4-amino-N-butyl-3-[2-(methylamino)-2-oxoethoxy]benzamide

4-amino-N-butyl-3-[2-(methylamino)-2-oxoethoxy]benzamide (PubChem CID 82070083) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-amino-N-butyl-3-[2-(methylamino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-amino-N-butyl-3-[2-(methylamino)-2-oxoethoxy]benzamide
PubChem CID82070083
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-amino-N-butyl-3-[2-(methylamino)-2-oxoethoxy]benzamide
SMILESCCCCNC(=O)c1ccc(N)c(OCC(=O)NC)c1
InChIInChI=1S/C14H21N3O3/c1-3-4-7-17-14(19)10-5-6-11(15)12(8-10)20-9-13(18)16-2/h5-6,8H,3-4,7,9,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyPYHFSTAPCYAKKL-UHFFFAOYSA-N
XLogP0.92
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.92
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

4-amino-3-[2-(methylamino)-2-oxoethoxy]-N-(3-methylbutyl)benzamide
CID 82070095
4-amino-3-[2-(butylamino)-2-oxoethoxy]-N-propan-2-ylbenzamide
CID 93216573
3-amino-N-[3-(dimethylamino)propyl]-4-[2-(methylamino)-2-oxoethoxy]benzamide
CID 93216830
4-amino-3-butoxy-N-methylbenzamide
CID 63357456
2-(2-amino-5-chlorophenoxy)-N-butylacetamide
CID 62305003
4-amino-3-(2-amino-2-oxoethoxy)-N-(3-ethoxypropyl)benzamide
CID 82069692
4-amino-N-(furan-2-ylmethyl)-3-[2-(methylamino)-2-oxoethoxy]benzamide
CID 82070085
4-amino-3-propoxy-N-propylbenzamide
CID 82069804
4-amino-N-ethyl-3-pentoxybenzamide
CID 63358644
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
4-amino-N-butyl-3-chlorobenzamide
CID 59763688
3,4-diamino-N-dodecylbenzamide
CID 22411166

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-3-[2-(methylamino)-2-oxoethoxy]benzamide?
The IUPAC name of 4-amino-N-butyl-3-[2-(methylamino)-2-oxoethoxy]benzamide (CID 82070083) is 4-amino-N-butyl-3-[2-(methylamino)-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-amino-N-butyl-3-[2-(methylamino)-2-oxoethoxy]benzamide?
The canonical SMILES for 4-amino-N-butyl-3-[2-(methylamino)-2-oxoethoxy]benzamide is CCCCNC(=O)c1ccc(N)c(OCC(=O)NC)c1.
What is the InChIKey of 4-amino-N-butyl-3-[2-(methylamino)-2-oxoethoxy]benzamide?
The InChIKey is PYHFSTAPCYAKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-4-7-17-14(19)10-5-6-11(15)12(8-10)20-9-13(18)16-2/h5-6,8H,3-4,7,9,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 4-amino-N-butyl-3-[2-(methylamino)-2-oxoethoxy]benzamide?
4-amino-N-butyl-3-[2-(methylamino)-2-oxoethoxy]benzamide has a molecular weight of 279.34 g/mol, XLogP of 0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-3-[2-(methylamino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 82070083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).