N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide

C15H22N2O3 — CID 50875904

IUPACN-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide
SMILESCOc1ccc(C)cc1NC(=O)CCNC(=O)C(C)C
InChIInChI=1S/C15H22N2O3/c1-10(2)15(19)16-8-7-14(18)17-12-9-11(3)5-6-13(12)20-4/h5-6,9-10H,7-8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyLYEPLQCSLRSATI-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.10
Rot. Bonds6

About N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide

N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide (PubChem CID 50875904) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide
PubChem CID50875904
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide
SMILESCOc1ccc(C)cc1NC(=O)CCNC(=O)C(C)C
InChIInChI=1S/C15H22N2O3/c1-10(2)15(19)16-8-7-14(18)17-12-9-11(3)5-6-13(12)20-4/h5-6,9-10H,7-8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyLYEPLQCSLRSATI-UHFFFAOYSA-N
XLogP2.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide
CID 9098271
N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034471
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995
N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875892
3-(butylamino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 109012484
N-(2-methoxy-5-methylphenyl)-3-(2-methylanilino)propanamide
CID 51159592
N-(2-methoxy-5-methylphenyl)-2-propan-2-yloxyacetamide
CID 47410584
1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 82080459
N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048
4-amino-N-(2-methoxy-5-methylphenyl)-4-sulfanylidenebutanamide
CID 94270072

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide?
The IUPAC name of N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide (CID 50875904) is N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide?
The canonical SMILES for N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide is COc1ccc(C)cc1NC(=O)CCNC(=O)C(C)C.
What is the InChIKey of N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide?
The InChIKey is LYEPLQCSLRSATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)15(19)16-8-7-14(18)17-12-9-11(3)5-6-13(12)20-4/h5-6,9-10H,7-8H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide?
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide has a molecular weight of 278.35 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide is sourced from PubChem (CID 50875904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).