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

C17H27N3O3 — CID 119729089

IUPAC2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)N(CC)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C17H27N3O3/c1-5-10-17(3,18)16(22)20(6-2)12-15(21)19-13-8-7-9-14(11-13)23-4/h7-9,11H,5-6,10,12,18H2,1-4H3,(H,19,21)
InChIKeyHDJQSKKXKXFGCM-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.00
Rot. Bonds8

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

2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpentanamide (PubChem CID 119729089) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpentanamide
PubChem CID119729089
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)N(CC)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C17H27N3O3/c1-5-10-17(3,18)16(22)20(6-2)12-15(21)19-13-8-7-9-14(11-13)23-4/h7-9,11H,5-6,10,12,18H2,1-4H3,(H,19,21)
InChIKeyHDJQSKKXKXFGCM-UHFFFAOYSA-N
XLogP2.00
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 43011201
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
1-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119729055
4-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide
CID 120559009
2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-2-methylpentanamide
CID 119682062
4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 7958626
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 26353614
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-amino-N-(3-methoxyphenyl)-3-methylbutanamide
CID 64683747
2-[[2-(3-chlorophenoxy)acetyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 34778386
3-(2-aminophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide;hydrochloride
CID 120608072

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpentanamide (CID 119729089) is 2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpentanamide is CCCC(C)(N)C(=O)N(CC)CC(=O)Nc1cccc(OC)c1.
What is the InChIKey of 2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpentanamide?
The InChIKey is HDJQSKKXKXFGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-5-10-17(3,18)16(22)20(6-2)12-15(21)19-13-8-7-9-14(11-13)23-4/h7-9,11H,5-6,10,12,18H2,1-4H3,(H,19,21).
What are the key properties of 2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpentanamide?
2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpentanamide has a molecular weight of 321.42 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpentanamide is sourced from PubChem (CID 119729089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).