2-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide

C17H26N2O2 — CID 119529832

IUPAC2-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCN(C(=O)C(C)Oc1cccc(C)c1)C1CCNC1
InChIInChI=1S/C17H26N2O2/c1-4-10-19(15-8-9-18-12-15)17(20)14(3)21-16-7-5-6-13(2)11-16/h5-7,11,14-15,18H,4,8-10,12H2,1-3H3
InChIKeyZTEJXDWOODWMTM-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.36
Rot. Bonds6

About 2-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide

2-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide (PubChem CID 119529832) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
PubChem CID119529832
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCN(C(=O)C(C)Oc1cccc(C)c1)C1CCNC1
InChIInChI=1S/C17H26N2O2/c1-4-10-19(15-8-9-18-12-15)17(20)14(3)21-16-7-5-6-13(2)11-16/h5-7,11,14-15,18H,4,8-10,12H2,1-3H3
InChIKeyZTEJXDWOODWMTM-UHFFFAOYSA-N
XLogP2.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532235
3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 60807030
2-(4-methoxyphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532521
2-(2-chloro-5-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532550
2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119531842
2-(5-methyl-2-propan-2-ylphenoxy)-N-piperidin-4-yl-N-propylpropanamide
CID 119825707
2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94420232
2-(4-methylsulfanylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119823825
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
N-propyl-2-pyridin-3-yl-N-pyrrolidin-3-ylpropanamide
CID 119530488
2-(4-methoxyphenyl)sulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119529909

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide (CID 119529832) is 2-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide is CCCN(C(=O)C(C)Oc1cccc(C)c1)C1CCNC1.
What is the InChIKey of 2-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide?
The InChIKey is ZTEJXDWOODWMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-10-19(15-8-9-18-12-15)17(20)14(3)21-16-7-5-6-13(2)11-16/h5-7,11,14-15,18H,4,8-10,12H2,1-3H3.
What are the key properties of 2-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide?
2-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119529832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).