N-[2-(dimethylamino)ethyl]-2-[2-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-ethyl-5-(2-methylpropyl)phenyl]methyl]-6-methyl-4-propylphenoxy]acetamide

C35H56N4O4 — CID 59859606

IUPACN-[2-(dimethylamino)ethyl]-2-[2-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-ethyl-5-(2-methylpropyl)phenyl]methyl]-6-methyl-4-propylphenoxy]acetamide
SMILESCCCc1cc(C)c(OCC(=O)NCCN(C)C)c(Cc2cc(CC(C)C)cc(CC)c2OCC(=O)NCCN(C)C)c1
InChIInChI=1S/C35H56N4O4/c1-10-12-27-18-26(5)34(42-23-32(40)36-13-15-38(6)7)30(19-27)22-31-21-28(17-25(3)4)20-29(11-2)35(31)43-24-33(41)37-14-16-39(8)9/h18-21,25H,10-17,22-24H2,1-9H3,(H,36,40)(H,37,41)
InChIKeyYYKVXKFXAZMGBW-UHFFFAOYSA-N
MW596.86 g/mol
LogP4.41
Rot. Bonds19

About N-[2-(dimethylamino)ethyl]-2-[2-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-ethyl-5-(2-methylpropyl)phenyl]methyl]-6-methyl-4-propylphenoxy]acetamide

N-[2-(dimethylamino)ethyl]-2-[2-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-ethyl-5-(2-methylpropyl)phenyl]methyl]-6-methyl-4-propylphenoxy]acetamide (PubChem CID 59859606) has the molecular formula C35H56N4O4 and a molecular weight of 596.86 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[2-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-ethyl-5-(2-methylpropyl)phenyl]methyl]-6-methyl-4-propylphenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[2-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-ethyl-5-(2-methylpropyl)phenyl]methyl]-6-methyl-4-propylphenoxy]acetamide
PubChem CID59859606
Molecular FormulaC35H56N4O4
Molecular Weight596.86 g/mol
Exact Mass596.43
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[2-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-ethyl-5-(2-methylpropyl)phenyl]methyl]-6-methyl-4-propylphenoxy]acetamide
SMILESCCCc1cc(C)c(OCC(=O)NCCN(C)C)c(Cc2cc(CC(C)C)cc(CC)c2OCC(=O)NCCN(C)C)c1
InChIInChI=1S/C35H56N4O4/c1-10-12-27-18-26(5)34(42-23-32(40)36-13-15-38(6)7)30(19-27)22-31-21-28(17-25(3)4)20-29(11-2)35(31)43-24-33(41)37-14-16-39(8)9/h18-21,25H,10-17,22-24H2,1-9H3,(H,36,40)(H,37,41)
InChIKeyYYKVXKFXAZMGBW-UHFFFAOYSA-N
XLogP4.41
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.86
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-5-(2-methylpropyl)phenyl]methyl]-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-4-(2-methylpropyl)phenoxy]acetamide
CID 90141943
2-[2-tert-butyl-6-(2,2-dimethylpropyl)-4-propylphenoxy]-N-[2-(dimethylamino)ethyl]acetamide
CID 143215066
N-[2-(dimethylamino)ethyl]-2-[2-[(3-ethyl-2-hydroxyphenyl)methyl]-6-methylphenoxy]acetamide
CID 59859568
N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-5-prop-2-enylphenyl]methyl]-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-4-prop-2-enylphenoxy]acetamide
CID 90141925
2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 61486806
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 19165327
2-(4-formyl-2,6-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 60627472
2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]-N-methylacetamide
CID 54930344
N-[2-(methylamino)propyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 120828911
1-[2-(dimethylamino)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974554
2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-(2-methoxyethyl)acetamide
CID 61485623
2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-N-propylacetamide
CID 43276832

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[2-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-ethyl-5-(2-methylpropyl)phenyl]methyl]-6-methyl-4-propylphenoxy]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[2-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-ethyl-5-(2-methylpropyl)phenyl]methyl]-6-methyl-4-propylphenoxy]acetamide (CID 59859606) is N-[2-(dimethylamino)ethyl]-2-[2-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-ethyl-5-(2-methylpropyl)phenyl]methyl]-6-methyl-4-propylphenoxy]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[2-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-ethyl-5-(2-methylpropyl)phenyl]methyl]-6-methyl-4-propylphenoxy]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[2-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-ethyl-5-(2-methylpropyl)phenyl]methyl]-6-methyl-4-propylphenoxy]acetamide is CCCc1cc(C)c(OCC(=O)NCCN(C)C)c(Cc2cc(CC(C)C)cc(CC)c2OCC(=O)NCCN(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[2-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-ethyl-5-(2-methylpropyl)phenyl]methyl]-6-methyl-4-propylphenoxy]acetamide?
The InChIKey is YYKVXKFXAZMGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H56N4O4/c1-10-12-27-18-26(5)34(42-23-32(40)36-13-15-38(6)7)30(19-27)22-31-21-28(17-25(3)4)20-29(11-2)35(31)43-24-33(41)37-14-16-39(8)9/h18-21,25H,10-17,22-24H2,1-9H3,(H,36,40)(H,37,41).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[2-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-ethyl-5-(2-methylpropyl)phenyl]methyl]-6-methyl-4-propylphenoxy]acetamide?
N-[2-(dimethylamino)ethyl]-2-[2-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-ethyl-5-(2-methylpropyl)phenyl]methyl]-6-methyl-4-propylphenoxy]acetamide has a molecular weight of 596.86 g/mol, XLogP of 4.41, 19 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[2-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-ethyl-5-(2-methylpropyl)phenyl]methyl]-6-methyl-4-propylphenoxy]acetamide is sourced from PubChem (CID 59859606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).