N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(methylamino)-N-(2-methylpropyl)propanamide

C19H32N2O3 — CID 119790269

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(methylamino)-N-(2-methylpropyl)propanamide
SMILESCNCC(C)C(=O)N(CCc1ccc(OC)c(OC)c1)CC(C)C
InChIInChI=1S/C19H32N2O3/c1-14(2)13-21(19(22)15(3)12-20-4)10-9-16-7-8-17(23-5)18(11-16)24-6/h7-8,11,14-15,20H,9-10,12-13H2,1-6H3
InChIKeyDHHWXRGHUVQMQE-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.59
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(methylamino)-N-(2-methylpropyl)propanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(methylamino)-N-(2-methylpropyl)propanamide (PubChem CID 119790269) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(methylamino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(methylamino)-N-(2-methylpropyl)propanamide
PubChem CID119790269
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(methylamino)-N-(2-methylpropyl)propanamide
SMILESCNCC(C)C(=O)N(CCc1ccc(OC)c(OC)c1)CC(C)C
InChIInChI=1S/C19H32N2O3/c1-14(2)13-21(19(22)15(3)12-20-4)10-9-16-7-8-17(23-5)18(11-16)24-6/h7-8,11,14-15,20H,9-10,12-13H2,1-6H3
InChIKeyDHHWXRGHUVQMQE-UHFFFAOYSA-N
XLogP2.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
CID 22954106
3-[[2-(3,4-dimethoxyphenyl)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190485
2-[acetyl(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113158865
2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)propanamide
CID 3395188
2-[acetyl(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 5026489
methyl N-[1-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 163728609
2-[2-(3,4-dimethoxyphenyl)ethyl-(2-methyl-4-oxopentanethioyl)amino]acetic acid
CID 88769890
2-(3,4-dimethoxyphenyl)ethyl-(3-hydroxypropyl)carbamic acid
CID 69147976
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide
CID 3102524
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 42775686
(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 8583899
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119790264

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(methylamino)-N-(2-methylpropyl)propanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(methylamino)-N-(2-methylpropyl)propanamide (CID 119790269) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(methylamino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(methylamino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(methylamino)-N-(2-methylpropyl)propanamide is CNCC(C)C(=O)N(CCc1ccc(OC)c(OC)c1)CC(C)C.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(methylamino)-N-(2-methylpropyl)propanamide?
The InChIKey is DHHWXRGHUVQMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-14(2)13-21(19(22)15(3)12-20-4)10-9-16-7-8-17(23-5)18(11-16)24-6/h7-8,11,14-15,20H,9-10,12-13H2,1-6H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(methylamino)-N-(2-methylpropyl)propanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(methylamino)-N-(2-methylpropyl)propanamide has a molecular weight of 336.48 g/mol, XLogP of 2.59, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(methylamino)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 119790269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).