2-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-ethylamino]-N-ethylacetamide

C19H31N3O4 — CID 8683587

IUPAC2-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)CC(=O)N(C)Cc1cc(OC)c(OC)cc1C
InChIInChI=1S/C19H31N3O4/c1-7-20-18(23)12-22(8-2)13-19(24)21(4)11-15-10-17(26-6)16(25-5)9-14(15)3/h9-10H,7-8,11-13H2,1-6H3,(H,20,23)
InChIKeyMIKOJQFGYAAZQZ-UHFFFAOYSA-N
MW365.47 g/mol
LogP1.43
Rot. Bonds10

About 2-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-ethylamino]-N-ethylacetamide

2-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-ethylamino]-N-ethylacetamide (PubChem CID 8683587) has the molecular formula C19H31N3O4 and a molecular weight of 365.47 g/mol. Its IUPAC name is 2-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-ethylamino]-N-ethylacetamide
PubChem CID8683587
Molecular FormulaC19H31N3O4
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC Name2-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)CC(=O)N(C)Cc1cc(OC)c(OC)cc1C
InChIInChI=1S/C19H31N3O4/c1-7-20-18(23)12-22(8-2)13-19(24)21(4)11-15-10-17(26-6)16(25-5)9-14(15)3/h9-10H,7-8,11-13H2,1-6H3,(H,20,23)
InChIKeyMIKOJQFGYAAZQZ-UHFFFAOYSA-N
XLogP1.43
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[ethyl-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]acetamide
CID 27075004
2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
CID 115151637
N-[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-2-methylbutanamide
CID 87039821
2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 32661950
2-[(2,5-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 8683962
3-amino-1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methylurea
CID 115192794
tert-butyl N-[3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-3-oxopropyl]carbamate
CID 9277344
N-[2-[[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide
CID 111368067
tert-butyl N-[4-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-4-oxobutyl]carbamate
CID 9277255
[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8792924
[2-(tert-butylamino)-2-oxoethyl]-[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-ethylazanium
CID 8794302
4-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559279

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-ethylamino]-N-ethylacetamide (CID 8683587) is 2-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)CC(=O)N(C)Cc1cc(OC)c(OC)cc1C.
What is the InChIKey of 2-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-ethylamino]-N-ethylacetamide?
The InChIKey is MIKOJQFGYAAZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4/c1-7-20-18(23)12-22(8-2)13-19(24)21(4)11-15-10-17(26-6)16(25-5)9-14(15)3/h9-10H,7-8,11-13H2,1-6H3,(H,20,23).
What are the key properties of 2-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-ethylamino]-N-ethylacetamide?
2-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-ethylamino]-N-ethylacetamide has a molecular weight of 365.47 g/mol, XLogP of 1.43, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 8683587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).