N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide

C19H30N2O4 — CID 71845058

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-2-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CN2CCCC2C(C)(C)O)c1
InChIInChI=1S/C19H30N2O4/c1-13(15-11-14(24-4)8-9-16(15)25-5)20-18(22)12-21-10-6-7-17(21)19(2,3)23/h8-9,11,13,17,23H,6-7,10,12H2,1-5H3,(H,20,22)
InChIKeyNISWIWGUZDURQW-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.12
Rot. Bonds7

About N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide (PubChem CID 71845058) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide
PubChem CID71845058
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CN2CCCC2C(C)(C)O)c1
InChIInChI=1S/C19H30N2O4/c1-13(15-11-14(24-4)8-9-16(15)25-5)20-18(22)12-21-10-6-7-17(21)19(2,3)23/h8-9,11,13,17,23H,6-7,10,12H2,1-5H3,(H,20,22)
InChIKeyNISWIWGUZDURQW-UHFFFAOYSA-N
XLogP2.12
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 51224634
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
CID 124822720
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide
CID 55827984
2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 26546536
2-cyclohexylsulfanyl-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 60608736
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95311777
1-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119909597
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 51683410
4-cyclohexyl-N-[1-(2,5-dimethoxyphenyl)ethyl]butanamide
CID 85020035
(2R)-1-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119914296
ethyl 3-[1-(2,5-dimethoxyphenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 43057044
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 98479306

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide (CID 71845058) is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide is COc1ccc(OC)c(C(C)NC(=O)CN2CCCC2C(C)(C)O)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is NISWIWGUZDURQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-13(15-11-14(24-4)8-9-16(15)25-5)20-18(22)12-21-10-6-7-17(21)19(2,3)23/h8-9,11,13,17,23H,6-7,10,12H2,1-5H3,(H,20,22).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 350.46 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 71845058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).