4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide

C16H25N3O3 — CID 119267716

IUPAC4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)CCCN
InChIInChI=1S/C16H25N3O3/c1-3-11-19(16(21)9-6-10-17)12-15(20)18-13-7-4-5-8-14(13)22-2/h4-5,7-8H,3,6,9-12,17H2,1-2H3,(H,18,20)
InChIKeyKLIAGPDUUWXTLK-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.61
Rot. Bonds9

About 4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide

4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide (PubChem CID 119267716) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide
PubChem CID119267716
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)CCCN
InChIInChI=1S/C16H25N3O3/c1-3-11-19(16(21)9-6-10-17)12-15(20)18-13-7-4-5-8-14(13)22-2/h4-5,7-8H,3,6,9-12,17H2,1-2H3,(H,18,20)
InChIKeyKLIAGPDUUWXTLK-UHFFFAOYSA-N
XLogP1.61
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide
CID 119267704
2-[(2-benzylsulfanylacetyl)-propylamino]-N-(2-methoxyphenyl)acetamide
CID 8620896
3-(2,5-dimethylphenoxy)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpropanamide
CID 7936258
2-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpentanamide;hydrochloride
CID 119267711
3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113115042
2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 9199505
[2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 8580905
2-[[2-(2,4-dimethylphenyl)sulfanylacetyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 8786909
2-(3,6-dihydro-2H-pyridin-1-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide
CID 166204006
N-(2-methoxyphenyl)-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]-propylamino]acetamide
CID 9200820
2-[butyl(methyl)amino]-N-(2-methoxyphenyl)acetamide
CID 109006138
7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride
CID 119670519

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide?
The IUPAC name of 4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide (CID 119267716) is 4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide.
What is the SMILES notation for 4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide?
The canonical SMILES for 4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide is CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCCN.
What is the InChIKey of 4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide?
The InChIKey is KLIAGPDUUWXTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-3-11-19(16(21)9-6-10-17)12-15(20)18-13-7-4-5-8-14(13)22-2/h4-5,7-8H,3,6,9-12,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide?
4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide has a molecular weight of 307.39 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide is sourced from PubChem (CID 119267716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).