(2S)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methyloxolane-2-carboxamide

C16H22N2O4 — CID 95228127

IUPAC(2S)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methyloxolane-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)[C@]1(C)CCCO1
InChIInChI=1S/C16H22N2O4/c1-11-5-6-13(21-3)12(9-11)18-14(19)10-17-15(20)16(2)7-4-8-22-16/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,20)(H,18,19)/t16-/m0/s1
InChIKeyUAOAEMHJPQMSDY-INIZCTEOSA-N
MW306.36 g/mol
LogP1.63
Rot. Bonds5

About (2S)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methyloxolane-2-carboxamide

(2S)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methyloxolane-2-carboxamide (PubChem CID 95228127) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is (2S)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methyloxolane-2-carboxamide
PubChem CID95228127
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name(2S)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methyloxolane-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)[C@]1(C)CCCO1
InChIInChI=1S/C16H22N2O4/c1-11-5-6-13(21-3)12(9-11)18-14(19)10-17-15(20)16(2)7-4-8-22-16/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,20)(H,18,19)/t16-/m0/s1
InChIKeyUAOAEMHJPQMSDY-INIZCTEOSA-N
XLogP1.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminocyclobutyl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 79851412
N-(2-methoxy-5-methylphenyl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125002684
N-(2-methoxy-5-methylphenyl)-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125002685
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 9215526
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995
N-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 75537653
2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 24559532
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
1-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)cyclopentane-1-carboxamide
CID 18200173
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methyloxolane-2-carboxamide
CID 82766741
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methyloxolane-2-carboxamide?
The IUPAC name of (2S)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methyloxolane-2-carboxamide (CID 95228127) is (2S)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methyloxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methyloxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methyloxolane-2-carboxamide is COc1ccc(C)cc1NC(=O)CNC(=O)[C@]1(C)CCCO1.
What is the InChIKey of (2S)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methyloxolane-2-carboxamide?
The InChIKey is UAOAEMHJPQMSDY-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11-5-6-13(21-3)12(9-11)18-14(19)10-17-15(20)16(2)7-4-8-22-16/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,20)(H,18,19)/t16-/m0/s1.
What are the key properties of (2S)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methyloxolane-2-carboxamide?
(2S)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methyloxolane-2-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methyloxolane-2-carboxamide is sourced from PubChem (CID 95228127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).