4-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide

C16H25N3O3 — CID 120559009

IUPAC4-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)CCC(C)N
InChIInChI=1S/C16H25N3O3/c1-4-19(16(21)9-8-12(2)17)11-15(20)18-13-6-5-7-14(10-13)22-3/h5-7,10,12H,4,8-9,11,17H2,1-3H3,(H,18,20)
InChIKeyQTDYVAFUKITKMX-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.61
Rot. Bonds8

About 4-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide

4-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide (PubChem CID 120559009) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide
PubChem CID120559009
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name4-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)CCC(C)N
InChIInChI=1S/C16H25N3O3/c1-4-19(16(21)9-8-12(2)17)11-15(20)18-13-6-5-7-14(10-13)22-3/h5-7,10,12H,4,8-9,11,17H2,1-3H3,(H,18,20)
InChIKeyQTDYVAFUKITKMX-UHFFFAOYSA-N
XLogP1.61
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 43011201
3-(2-aminophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide;hydrochloride
CID 120608072
2-[ethyl-(2-phenoxyacetyl)amino]-N-(3-methoxyphenyl)acetamide
CID 9094787
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55702362
3-(2-chlorophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 34778531
2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 7958649
2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpentanamide
CID 119729089
N-[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 46582138
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 78797825
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 55484737
4-(5-chlorothiophen-2-yl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-oxobutanamide
CID 55369935

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide?
The IUPAC name of 4-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide (CID 120559009) is 4-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide.
What is the SMILES notation for 4-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide?
The canonical SMILES for 4-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide is CCN(CC(=O)Nc1cccc(OC)c1)C(=O)CCC(C)N.
What is the InChIKey of 4-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide?
The InChIKey is QTDYVAFUKITKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-4-19(16(21)9-8-12(2)17)11-15(20)18-13-6-5-7-14(10-13)22-3/h5-7,10,12H,4,8-9,11,17H2,1-3H3,(H,18,20).
What are the key properties of 4-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide?
4-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide has a molecular weight of 307.39 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide is sourced from PubChem (CID 120559009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).