N-[(3,4-diethoxyphenyl)carbamoyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide

C18H28N4O5 — CID 8712469

IUPACN-[(3,4-diethoxyphenyl)carbamoyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
SMILESCCOc1ccc(NC(=O)NC(=O)CN(C)CC(=O)N(C)C)cc1OCC
InChIInChI=1S/C18H28N4O5/c1-6-26-14-9-8-13(10-15(14)27-7-2)19-18(25)20-16(23)11-22(5)12-17(24)21(3)4/h8-10H,6-7,11-12H2,1-5H3,(H2,19,20,23,25)
InChIKeyZFEJEBMRAJDXAE-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.15
Rot. Bonds9

About N-[(3,4-diethoxyphenyl)carbamoyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide

N-[(3,4-diethoxyphenyl)carbamoyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 8712469) has the molecular formula C18H28N4O5 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[(3,4-diethoxyphenyl)carbamoyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-[(3,4-diethoxyphenyl)carbamoyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
PubChem CID8712469
Molecular FormulaC18H28N4O5
Molecular Weight380.45 g/mol
Exact Mass380.21
IUPAC NameN-[(3,4-diethoxyphenyl)carbamoyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
SMILESCCOc1ccc(NC(=O)NC(=O)CN(C)CC(=O)N(C)C)cc1OCC
InChIInChI=1S/C18H28N4O5/c1-6-26-14-9-8-13(10-15(14)27-7-2)19-18(25)20-16(23)11-22(5)12-17(24)21(3)4/h8-10H,6-7,11-12H2,1-5H3,(H2,19,20,23,25)
InChIKeyZFEJEBMRAJDXAE-UHFFFAOYSA-N
XLogP1.15
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658514
N-(3,4-diethoxyphenyl)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658528
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N-(3,4-diethoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 7910523
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049982
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide
CID 2112863
N-(3,4-diethoxyphenyl)-2-sulfanylacetamide
CID 60650095
3-(N-[2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]acetyl]-4-methoxyanilino)propanamide
CID 24560999
2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylcyclohexyl)acetamide
CID 42915427
2-cyclohexylsulfanyl-N-[(3,4-diethoxyphenyl)carbamoyl]acetamide
CID 8705434
N-[(3,4-diethoxyphenyl)carbamoyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 7964597
1-(3,4-diethoxyphenyl)-3-ethenylurea
CID 108909159

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethoxyphenyl)carbamoyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-[(3,4-diethoxyphenyl)carbamoyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide (CID 8712469) is N-[(3,4-diethoxyphenyl)carbamoyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-[(3,4-diethoxyphenyl)carbamoyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-[(3,4-diethoxyphenyl)carbamoyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide is CCOc1ccc(NC(=O)NC(=O)CN(C)CC(=O)N(C)C)cc1OCC.
What is the InChIKey of N-[(3,4-diethoxyphenyl)carbamoyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is ZFEJEBMRAJDXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O5/c1-6-26-14-9-8-13(10-15(14)27-7-2)19-18(25)20-16(23)11-22(5)12-17(24)21(3)4/h8-10H,6-7,11-12H2,1-5H3,(H2,19,20,23,25).
What are the key properties of N-[(3,4-diethoxyphenyl)carbamoyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide?
N-[(3,4-diethoxyphenyl)carbamoyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 380.45 g/mol, XLogP of 1.15, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethoxyphenyl)carbamoyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 8712469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).