5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide

C16H24N2O2 — CID 119451072

IUPAC5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide
SMILESCc1cccc(OCCCCC(=O)NC2CCNC2)c1
InChIInChI=1S/C16H24N2O2/c1-13-5-4-6-15(11-13)20-10-3-2-7-16(19)18-14-8-9-17-12-14/h4-6,11,14,17H,2-3,7-10,12H2,1H3,(H,18,19)
InChIKeyMMCXHWOVZJDFOQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.02
Rot. Bonds7

About 5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide

5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide (PubChem CID 119451072) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide.

Molecular Properties

Compound Name5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide
PubChem CID119451072
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide
SMILESCc1cccc(OCCCCC(=O)NC2CCNC2)c1
InChIInChI=1S/C16H24N2O2/c1-13-5-4-6-15(11-13)20-10-3-2-7-16(19)18-14-8-9-17-12-14/h4-6,11,14,17H,2-3,7-10,12H2,1H3,(H,18,19)
InChIKeyMMCXHWOVZJDFOQ-UHFFFAOYSA-N
XLogP2.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-methylphenoxy)-N-(2-methylpiperidin-4-yl)pentanamide
CID 120600867
4-(3-methylphenoxy)-N-(6-oxopiperidin-3-yl)butanamide
CID 62490445
3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120557730
2-(3-methylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388822
3-[3-oxo-3-(pyrrolidin-3-ylamino)propoxy]benzamide
CID 119454270
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylphenoxy)butanamide;hydrochloride
CID 119457110
4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide
CID 119461960
5-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119451061
N-(1,1-dioxothiolan-3-yl)-4-(3-methylphenoxy)butanamide
CID 46558987
N-(2-hydroxycyclohexyl)-4-(3-methylphenoxy)butanamide
CID 62365265
4-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylbutanamide
CID 119454241
5-(4-bromophenoxy)-N-piperidin-3-ylpentanamide;hydrochloride
CID 119424621

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide?
The IUPAC name of 5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide (CID 119451072) is 5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide.
What is the SMILES notation for 5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide?
The canonical SMILES for 5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide is Cc1cccc(OCCCCC(=O)NC2CCNC2)c1.
What is the InChIKey of 5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide?
The InChIKey is MMCXHWOVZJDFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-5-4-6-15(11-13)20-10-3-2-7-16(19)18-14-8-9-17-12-14/h4-6,11,14,17H,2-3,7-10,12H2,1H3,(H,18,19).
What are the key properties of 5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide?
5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide has a molecular weight of 276.38 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide is sourced from PubChem (CID 119451072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).