2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide

C17H27N3O4 — CID 113160440

IUPAC2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(CCN(C)C)C(C)=O)cc1OC
InChIInChI=1S/C17H27N3O4/c1-13(21)20(9-8-19(2)3)12-17(22)18-11-14-6-7-15(23-4)16(10-14)24-5/h6-7,10H,8-9,11-12H2,1-5H3,(H,18,22)
InChIKeyZTHHLRANAAZMRR-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.73
Rot. Bonds9

About 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide

2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide (PubChem CID 113160440) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
PubChem CID113160440
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(CCN(C)C)C(C)=O)cc1OC
InChIInChI=1S/C17H27N3O4/c1-13(21)20(9-8-19(2)3)12-17(22)18-11-14-6-7-15(23-4)16(10-14)24-5/h6-7,10H,8-9,11-12H2,1-5H3,(H,18,22)
InChIKeyZTHHLRANAAZMRR-UHFFFAOYSA-N
XLogP0.73
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)ethyl]urea
CID 108896807
1-[(4-bromophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-[2-(dimethylamino)ethyl]urea
CID 60577065
3-[N-acetyl-4-(dimethylamino)anilino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 113131726
2-(N-acetyl-2,4,6-trimethylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113169975
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 8908217
N-[(3,4-dimethoxyphenyl)methyl]-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960213
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113160557
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 113160520
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113122053
2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide;dihydrochloride
CID 119858648
3-(N,4-diacetylanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 113130831
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 113117582

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide (CID 113160440) is 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN(CCN(C)C)C(C)=O)cc1OC.
What is the InChIKey of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The InChIKey is ZTHHLRANAAZMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-13(21)20(9-8-19(2)3)12-17(22)18-11-14-6-7-15(23-4)16(10-14)24-5/h6-7,10H,8-9,11-12H2,1-5H3,(H,18,22).
What are the key properties of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide has a molecular weight of 337.42 g/mol, XLogP of 0.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 113160440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).