N-(3-methoxyphenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide

C21H27N3O3 — CID 8555813

IUPACN-(3-methoxyphenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)CC(=O)N(C)[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C21H27N3O3/c1-16(17-9-6-5-7-10-17)24(3)21(26)15-23(2)14-20(25)22-18-11-8-12-19(13-18)27-4/h5-13,16H,14-15H2,1-4H3,(H,22,25)/t16-/m0/s1
InChIKeyPQUCODBAGWURIW-INIZCTEOSA-N
MW369.47 g/mol
LogP2.79
Rot. Bonds8

About N-(3-methoxyphenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide

N-(3-methoxyphenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide (PubChem CID 8555813) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
PubChem CID8555813
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-(3-methoxyphenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)CC(=O)N(C)[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C21H27N3O3/c1-16(17-9-6-5-7-10-17)24(3)21(26)15-23(2)14-20(25)22-18-11-8-12-19(13-18)27-4/h5-13,16H,14-15H2,1-4H3,(H,22,25)/t16-/m0/s1
InChIKeyPQUCODBAGWURIW-INIZCTEOSA-N
XLogP2.79
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8556475
N-(3,4-dichlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348587
2-[[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8555084
N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348198
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3,3-diphenylpropanamide
CID 2594494
2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 9347465
2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8914073
2-[[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8555605
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 38300605
N-(3-methoxyphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8555015
2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198587
N-(3-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 8689446

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide (CID 8555813) is N-(3-methoxyphenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide is COc1cccc(NC(=O)CN(C)CC(=O)N(C)[C@@H](C)c2ccccc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide?
The InChIKey is PQUCODBAGWURIW-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-16(17-9-6-5-7-10-17)24(3)21(26)15-23(2)14-20(25)22-18-11-8-12-19(13-18)27-4/h5-13,16H,14-15H2,1-4H3,(H,22,25)/t16-/m0/s1.
What are the key properties of N-(3-methoxyphenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide?
N-(3-methoxyphenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide has a molecular weight of 369.47 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 8555813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).