N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-pyrrolidin-2-ylacetamide

C16H23ClN2O2 — CID 119739747

IUPACN-[3-(3-chlorophenoxy)propyl]-N-methyl-2-pyrrolidin-2-ylacetamide
SMILESCN(CCCOc1cccc(Cl)c1)C(=O)CC1CCCN1
InChIInChI=1S/C16H23ClN2O2/c1-19(16(20)12-14-6-3-8-18-14)9-4-10-21-15-7-2-5-13(17)11-15/h2,5,7,11,14,18H,3-4,6,8-10,12H2,1H3
InChIKeyOHWUXDGVVZEEDM-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.71
Rot. Bonds7

About N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-pyrrolidin-2-ylacetamide

N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-pyrrolidin-2-ylacetamide (PubChem CID 119739747) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenoxy)propyl]-N-methyl-2-pyrrolidin-2-ylacetamide
PubChem CID119739747
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-[3-(3-chlorophenoxy)propyl]-N-methyl-2-pyrrolidin-2-ylacetamide
SMILESCN(CCCOc1cccc(Cl)c1)C(=O)CC1CCCN1
InChIInChI=1S/C16H23ClN2O2/c1-19(16(20)12-14-6-3-8-18-14)9-4-10-21-15-7-2-5-13(17)11-15/h2,5,7,11,14,18H,3-4,6,8-10,12H2,1H3
InChIKeyOHWUXDGVVZEEDM-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 119937371
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(3-chlorophenoxy)propyl]-N-methylacetamide;hydrochloride
CID 119739734
N-[3-(3-chlorophenoxy)propyl]-2-(cyclopropylmethylamino)-N-methylacetamide
CID 119739733
N-[3-(3-chlorophenoxy)propyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119298309
N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide
CID 107067634
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119695325
2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[3-(3-chlorophenoxy)propyl]-N-methylacetamide
CID 166613961
N-[2-(3-chlorophenoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616599
3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
CID 119298305
2-(3-chlorophenoxy)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106614950
N-[2-(3-chlorophenoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617019
N-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 60938135

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-pyrrolidin-2-ylacetamide (CID 119739747) is N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-pyrrolidin-2-ylacetamide is CN(CCCOc1cccc(Cl)c1)C(=O)CC1CCCN1.
What is the InChIKey of N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-pyrrolidin-2-ylacetamide?
The InChIKey is OHWUXDGVVZEEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-19(16(20)12-14-6-3-8-18-14)9-4-10-21-15-7-2-5-13(17)11-15/h2,5,7,11,14,18H,3-4,6,8-10,12H2,1H3.
What are the key properties of N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-pyrrolidin-2-ylacetamide?
N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-pyrrolidin-2-ylacetamide has a molecular weight of 310.82 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119739747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).