(2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(2-methylphenyl)propanamide

C21H27N3O3 — CID 52506239

IUPAC(2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(2-methylphenyl)propanamide
SMILESCc1ccc(N[C@H](C)C(=O)Nc2ccccc2C)c(OCC(=O)N(C)C)c1
InChIInChI=1S/C21H27N3O3/c1-14-10-11-18(19(12-14)27-13-20(25)24(4)5)22-16(3)21(26)23-17-9-7-6-8-15(17)2/h6-12,16,22H,13H2,1-5H3,(H,23,26)/t16-/m1/s1
InChIKeyKZCSLSFSDNLBKJ-MRXNPFEDSA-N
MW369.47 g/mol
LogP3.21
Rot. Bonds7

About (2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(2-methylphenyl)propanamide

(2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(2-methylphenyl)propanamide (PubChem CID 52506239) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is (2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(2-methylphenyl)propanamide
PubChem CID52506239
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name(2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(2-methylphenyl)propanamide
SMILESCc1ccc(N[C@H](C)C(=O)Nc2ccccc2C)c(OCC(=O)N(C)C)c1
InChIInChI=1S/C21H27N3O3/c1-14-10-11-18(19(12-14)27-13-20(25)24(4)5)22-16(3)21(26)23-17-9-7-6-8-15(17)2/h6-12,16,22H,13H2,1-5H3,(H,23,26)/t16-/m1/s1
InChIKeyKZCSLSFSDNLBKJ-MRXNPFEDSA-N
XLogP3.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(methylcarbamoyl)propanamide
CID 94796559
N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide
CID 46747955
2-[2-[[4-(hydroxymethyl)phenyl]methylamino]-5-methylphenoxy]-N,N-dimethylacetamide
CID 110006577
(2R)-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 94647418
2-(4,5-dimethoxy-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 51168758
2-(2,3-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 46757405
2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide
CID 71939087
(2R)-2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide
CID 94643771
N,N-dimethyl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639445
2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide
CID 60577692
(2R)-N-(2-acetylphenyl)-2-(2,4-dimethylanilino)propanamide
CID 35906873
cis-(1S,2R)-2-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 146106643

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(2-methylphenyl)propanamide?
The IUPAC name of (2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(2-methylphenyl)propanamide (CID 52506239) is (2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(2-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(2-methylphenyl)propanamide is Cc1ccc(N[C@H](C)C(=O)Nc2ccccc2C)c(OCC(=O)N(C)C)c1.
What is the InChIKey of (2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(2-methylphenyl)propanamide?
The InChIKey is KZCSLSFSDNLBKJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14-10-11-18(19(12-14)27-13-20(25)24(4)5)22-16(3)21(26)23-17-9-7-6-8-15(17)2/h6-12,16,22H,13H2,1-5H3,(H,23,26)/t16-/m1/s1.
What are the key properties of (2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(2-methylphenyl)propanamide?
(2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(2-methylphenyl)propanamide has a molecular weight of 369.47 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 52506239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).