2-[[2-[1-(4-methoxyphenyl)ethyl-methylamino]acetyl]amino]-N-methyl-2-phenylacetamide

C21H27N3O3 — CID 87015978

IUPAC2-[[2-[1-(4-methoxyphenyl)ethyl-methylamino]acetyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)C(NC(=O)CN(C)C(C)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C21H27N3O3/c1-15(16-10-12-18(27-4)13-11-16)24(3)14-19(25)23-20(21(26)22-2)17-8-6-5-7-9-17/h5-13,15,20H,14H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyKVDYMJIJFSHUQQ-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.29
Rot. Bonds8

About 2-[[2-[1-(4-methoxyphenyl)ethyl-methylamino]acetyl]amino]-N-methyl-2-phenylacetamide

2-[[2-[1-(4-methoxyphenyl)ethyl-methylamino]acetyl]amino]-N-methyl-2-phenylacetamide (PubChem CID 87015978) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[[2-[1-(4-methoxyphenyl)ethyl-methylamino]acetyl]amino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[[2-[1-(4-methoxyphenyl)ethyl-methylamino]acetyl]amino]-N-methyl-2-phenylacetamide
PubChem CID87015978
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-[[2-[1-(4-methoxyphenyl)ethyl-methylamino]acetyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)C(NC(=O)CN(C)C(C)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C21H27N3O3/c1-15(16-10-12-18(27-4)13-11-16)24(3)14-19(25)23-20(21(26)22-2)17-8-6-5-7-9-17/h5-13,15,20H,14H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyKVDYMJIJFSHUQQ-UHFFFAOYSA-N
XLogP2.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-[1-(4-methoxyphenyl)ethyl-methylamino]acetamide
CID 86924606
2-[methyl(1-phenylethyl)amino]-N-phenylacetamide
CID 47109719
2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]-N-phenylacetamide
CID 111122600
2-(4-methoxyphenyl)-N-methyl-2-(methylamino)acetamide
CID 82470540
2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 86979725
(2R)-N-methyl-2-[[2-(4-methylphenyl)acetyl]amino]-2-phenylacetamide
CID 71906698
2-[[2-amino-1-(4-methoxyphenyl)propyl]-methylamino]-N-methylacetamide
CID 55016193
N-[1-(4-methoxyphenyl)propyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 51252930
2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-(1-phenylethyl)acetamide
CID 55552669
3-[1-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65071757
(2R)-2-[[(3S)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 69041447
2-[methyl-[(1R)-1-phenylethyl]amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 51730175

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(4-methoxyphenyl)ethyl-methylamino]acetyl]amino]-N-methyl-2-phenylacetamide?
The IUPAC name of 2-[[2-[1-(4-methoxyphenyl)ethyl-methylamino]acetyl]amino]-N-methyl-2-phenylacetamide (CID 87015978) is 2-[[2-[1-(4-methoxyphenyl)ethyl-methylamino]acetyl]amino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for 2-[[2-[1-(4-methoxyphenyl)ethyl-methylamino]acetyl]amino]-N-methyl-2-phenylacetamide?
The canonical SMILES for 2-[[2-[1-(4-methoxyphenyl)ethyl-methylamino]acetyl]amino]-N-methyl-2-phenylacetamide is CNC(=O)C(NC(=O)CN(C)C(C)c1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of 2-[[2-[1-(4-methoxyphenyl)ethyl-methylamino]acetyl]amino]-N-methyl-2-phenylacetamide?
The InChIKey is KVDYMJIJFSHUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15(16-10-12-18(27-4)13-11-16)24(3)14-19(25)23-20(21(26)22-2)17-8-6-5-7-9-17/h5-13,15,20H,14H2,1-4H3,(H,22,26)(H,23,25).
What are the key properties of 2-[[2-[1-(4-methoxyphenyl)ethyl-methylamino]acetyl]amino]-N-methyl-2-phenylacetamide?
2-[[2-[1-(4-methoxyphenyl)ethyl-methylamino]acetyl]amino]-N-methyl-2-phenylacetamide has a molecular weight of 369.47 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(4-methoxyphenyl)ethyl-methylamino]acetyl]amino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 87015978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).