2-[3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]anilino]-N,N-diethylacetamide

C24H34N2O2 — CID 162668176

IUPAC2-[3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]anilino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(Cc1ccc(OC(C)C)cc1)c1cc(C)cc(C)c1
InChIInChI=1S/C24H34N2O2/c1-7-25(8-2)24(27)17-26(22-14-19(5)13-20(6)15-22)16-21-9-11-23(12-10-21)28-18(3)4/h9-15,18H,7-8,16-17H2,1-6H3
InChIKeyMLLYPZSMXZCRCI-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.97
Rot. Bonds9

About 2-[3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]anilino]-N,N-diethylacetamide

2-[3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]anilino]-N,N-diethylacetamide (PubChem CID 162668176) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 2-[3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]anilino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]anilino]-N,N-diethylacetamide
PubChem CID162668176
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name2-[3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]anilino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(Cc1ccc(OC(C)C)cc1)c1cc(C)cc(C)c1
InChIInChI=1S/C24H34N2O2/c1-7-25(8-2)24(27)17-26(22-14-19(5)13-20(6)15-22)16-21-9-11-23(12-10-21)28-18(3)4/h9-15,18H,7-8,16-17H2,1-6H3
InChIKeyMLLYPZSMXZCRCI-UHFFFAOYSA-N
XLogP4.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[N-[[4-(2-fluoroethoxy)phenyl]methyl]-3,5-dimethylanilino]acetamide
CID 162675483
2-(N-benzylanilino)-N,N-diethylacetamide
CID 109005016
N,N-dibenzyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30257661
4-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]butan-2-one
CID 115235805
N-benzyl-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-ethylacetamide
CID 113153950
2-(N-[2-(dimethylamino)-2-oxoethyl]anilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 125419031
(2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide
CID 9173438
4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 38017941
2-[methyl-[2-(4-propan-2-yloxyphenyl)acetyl]amino]acetic acid
CID 98017762
3-(N-ethyl-3-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109040250
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108969620
3-(N-[2-(diethylamino)-2-oxoethyl]-3-methylanilino)propanoic acid
CID 82316967

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]anilino]-N,N-diethylacetamide?
The IUPAC name of 2-[3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]anilino]-N,N-diethylacetamide (CID 162668176) is 2-[3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]anilino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]anilino]-N,N-diethylacetamide?
The canonical SMILES for 2-[3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]anilino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(Cc1ccc(OC(C)C)cc1)c1cc(C)cc(C)c1.
What is the InChIKey of 2-[3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]anilino]-N,N-diethylacetamide?
The InChIKey is MLLYPZSMXZCRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-7-25(8-2)24(27)17-26(22-14-19(5)13-20(6)15-22)16-21-9-11-23(12-10-21)28-18(3)4/h9-15,18H,7-8,16-17H2,1-6H3.
What are the key properties of 2-[3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]anilino]-N,N-diethylacetamide?
2-[3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]anilino]-N,N-diethylacetamide has a molecular weight of 382.55 g/mol, XLogP of 4.97, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]anilino]-N,N-diethylacetamide is sourced from PubChem (CID 162668176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).