(2R)-N-(ethylcarbamoyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-phenylacetamide

C21H27N3O3 — CID 8805645

IUPAC(2R)-N-(ethylcarbamoyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-phenylacetamide
SMILESCCNC(=O)NC(=O)[C@@H](c1ccccc1)N(C)Cc1cc(C)ccc1OC
InChIInChI=1S/C21H27N3O3/c1-5-22-21(26)23-20(25)19(16-9-7-6-8-10-16)24(3)14-17-13-15(2)11-12-18(17)27-4/h6-13,19H,5,14H2,1-4H3,(H2,22,23,25,26)/t19-/m1/s1
InChIKeyKDATWVJDVXHJDD-LJQANCHMSA-N
MW369.47 g/mol
LogP3.02
Rot. Bonds7

About (2R)-N-(ethylcarbamoyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-phenylacetamide

(2R)-N-(ethylcarbamoyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-phenylacetamide (PubChem CID 8805645) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is (2R)-N-(ethylcarbamoyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(ethylcarbamoyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-phenylacetamide
PubChem CID8805645
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name(2R)-N-(ethylcarbamoyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-phenylacetamide
SMILESCCNC(=O)NC(=O)[C@@H](c1ccccc1)N(C)Cc1cc(C)ccc1OC
InChIInChI=1S/C21H27N3O3/c1-5-22-21(26)23-20(25)19(16-9-7-6-8-10-16)24(3)14-17-13-15(2)11-12-18(17)27-4/h6-13,19H,5,14H2,1-4H3,(H2,22,23,25,26)/t19-/m1/s1
InChIKeyKDATWVJDVXHJDD-LJQANCHMSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805644
(2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 34714704
(2S)-N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]-2-phenylacetamide
CID 8516586
(2S)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 8694894
N-(2-ethoxyphenyl)-2-[(2-methoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 55351620
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 4882071
(2S)-N-(ethylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide
CID 8595597
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273154
(2R)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 8789263
(2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]-2-phenylacetamide
CID 8517511
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N,2-diphenylacetamide
CID 55471442
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7815250

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(ethylcarbamoyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-phenylacetamide?
The IUPAC name of (2R)-N-(ethylcarbamoyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-phenylacetamide (CID 8805645) is (2R)-N-(ethylcarbamoyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(ethylcarbamoyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-phenylacetamide?
The canonical SMILES for (2R)-N-(ethylcarbamoyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-phenylacetamide is CCNC(=O)NC(=O)[C@@H](c1ccccc1)N(C)Cc1cc(C)ccc1OC.
What is the InChIKey of (2R)-N-(ethylcarbamoyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-phenylacetamide?
The InChIKey is KDATWVJDVXHJDD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-5-22-21(26)23-20(25)19(16-9-7-6-8-10-16)24(3)14-17-13-15(2)11-12-18(17)27-4/h6-13,19H,5,14H2,1-4H3,(H2,22,23,25,26)/t19-/m1/s1.
What are the key properties of (2R)-N-(ethylcarbamoyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-phenylacetamide?
(2R)-N-(ethylcarbamoyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-phenylacetamide has a molecular weight of 369.47 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(ethylcarbamoyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-phenylacetamide is sourced from PubChem (CID 8805645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).