2-methyl-N-[2-(methylamino)-2-oxoethyl]-3-[4-(4-methylbenzoyl)phenoxy]propanamide

C21H24N2O4 — CID 144556761

IUPAC2-methyl-N-[2-(methylamino)-2-oxoethyl]-3-[4-(4-methylbenzoyl)phenoxy]propanamide
SMILESCNC(=O)CNC(=O)C(C)COc1ccc(C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H24N2O4/c1-14-4-6-16(7-5-14)20(25)17-8-10-18(11-9-17)27-13-15(2)21(26)23-12-19(24)22-3/h4-11,15H,12-13H2,1-3H3,(H,22,24)(H,23,26)
InChIKeyNPOFWLVYLXXCMS-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.10
Rot. Bonds8

About 2-methyl-N-[2-(methylamino)-2-oxoethyl]-3-[4-(4-methylbenzoyl)phenoxy]propanamide

2-methyl-N-[2-(methylamino)-2-oxoethyl]-3-[4-(4-methylbenzoyl)phenoxy]propanamide (PubChem CID 144556761) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-methyl-N-[2-(methylamino)-2-oxoethyl]-3-[4-(4-methylbenzoyl)phenoxy]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(methylamino)-2-oxoethyl]-3-[4-(4-methylbenzoyl)phenoxy]propanamide
PubChem CID144556761
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-methyl-N-[2-(methylamino)-2-oxoethyl]-3-[4-(4-methylbenzoyl)phenoxy]propanamide
SMILESCNC(=O)CNC(=O)C(C)COc1ccc(C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H24N2O4/c1-14-4-6-16(7-5-14)20(25)17-8-10-18(11-9-17)27-13-15(2)21(26)23-12-19(24)22-3/h4-11,15H,12-13H2,1-3H3,(H,22,24)(H,23,26)
InChIKeyNPOFWLVYLXXCMS-UHFFFAOYSA-N
XLogP2.10
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 786610
2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide
CID 60712036
2-[[3-(3,4-dimethylphenoxy)-2-methylpropanoyl]amino]acetic acid
CID 112509512
2-methyl-3-(methylamino)-N-[2-(4-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119681162
N-[2-[[(2R)-1-(4-methylphenoxy)propan-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 95157805
2-methyl-3-(methylamino)-N-[4-(4-methylphenoxy)butyl]propanamide;hydrochloride
CID 119722678
(4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 5023093
2-[[3-[4-(4-isothiocyanatobenzoyl)phenoxy]-2-methylpropanoyl]amino]butanedioic acid
CID 71536687
methyl 2-acetamido-3-(4-methylphenoxy)propanoate
CID 65444167
2-[1-(4-methylphenoxy)propan-2-ylamino]-N-propan-2-ylpropanamide
CID 61168701
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
N-methyl-5-(4-methylphenoxy)pentanamide
CID 134582282

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(methylamino)-2-oxoethyl]-3-[4-(4-methylbenzoyl)phenoxy]propanamide?
The IUPAC name of 2-methyl-N-[2-(methylamino)-2-oxoethyl]-3-[4-(4-methylbenzoyl)phenoxy]propanamide (CID 144556761) is 2-methyl-N-[2-(methylamino)-2-oxoethyl]-3-[4-(4-methylbenzoyl)phenoxy]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(methylamino)-2-oxoethyl]-3-[4-(4-methylbenzoyl)phenoxy]propanamide?
The canonical SMILES for 2-methyl-N-[2-(methylamino)-2-oxoethyl]-3-[4-(4-methylbenzoyl)phenoxy]propanamide is CNC(=O)CNC(=O)C(C)COc1ccc(C(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-methyl-N-[2-(methylamino)-2-oxoethyl]-3-[4-(4-methylbenzoyl)phenoxy]propanamide?
The InChIKey is NPOFWLVYLXXCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14-4-6-16(7-5-14)20(25)17-8-10-18(11-9-17)27-13-15(2)21(26)23-12-19(24)22-3/h4-11,15H,12-13H2,1-3H3,(H,22,24)(H,23,26).
What are the key properties of 2-methyl-N-[2-(methylamino)-2-oxoethyl]-3-[4-(4-methylbenzoyl)phenoxy]propanamide?
2-methyl-N-[2-(methylamino)-2-oxoethyl]-3-[4-(4-methylbenzoyl)phenoxy]propanamide has a molecular weight of 368.43 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(methylamino)-2-oxoethyl]-3-[4-(4-methylbenzoyl)phenoxy]propanamide is sourced from PubChem (CID 144556761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).