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

C17H26N2O2 — CID 60807030

IUPAC3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCN(C(=O)CCOc1cccc(C)c1)C1CCNC1
InChIInChI=1S/C17H26N2O2/c1-3-10-19(15-7-9-18-13-15)17(20)8-11-21-16-6-4-5-14(2)12-16/h4-6,12,15,18H,3,7-11,13H2,1-2H3
InChIKeyULONJPADWRQMAV-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.36
Rot. Bonds7

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

3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide (PubChem CID 60807030) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
PubChem CID60807030
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCN(C(=O)CCOc1cccc(C)c1)C1CCNC1
InChIInChI=1S/C17H26N2O2/c1-3-10-19(15-7-9-18-13-15)17(20)8-11-21-16-6-4-5-14(2)12-16/h4-6,12,15,18H,3,7-11,13H2,1-2H3
InChIKeyULONJPADWRQMAV-UHFFFAOYSA-N
XLogP2.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119529832
N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119922769
N-methyl-N-[3-(3-methylphenoxy)propyl]pyrrolidin-3-amine
CID 63301419
2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94420232
4-(3-bromophenoxy)-N-piperidin-4-yl-N-propylbutanamide
CID 119824771
3-(2-methoxyphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530663
N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide
CID 119442665
3-(2,4-dimethylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824893
3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530577
3-[4-(3-methylphenyl)piperazin-1-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119532179
4-(4-acetylphenoxy)-N-propyl-N-pyrrolidin-3-ylbutanamide
CID 119530249
N-[3-(3-methylphenoxy)propyl]-N-propylpiperidin-4-amine
CID 60806318

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide (CID 60807030) is 3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide is CCCN(C(=O)CCOc1cccc(C)c1)C1CCNC1.
What is the InChIKey of 3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide?
The InChIKey is ULONJPADWRQMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-10-19(15-7-9-18-13-15)17(20)8-11-21-16-6-4-5-14(2)12-16/h4-6,12,15,18H,3,7-11,13H2,1-2H3.
What are the key properties of 3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide?
3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 60807030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).