N-[3-(3-chlorophenoxy)propyl]-2-(cyclopropylmethylamino)-N-methylacetamide

C16H23ClN2O2 — CID 119739733

IUPACN-[3-(3-chlorophenoxy)propyl]-2-(cyclopropylmethylamino)-N-methylacetamide
SMILESCN(CCCOc1cccc(Cl)c1)C(=O)CNCC1CC1
InChIInChI=1S/C16H23ClN2O2/c1-19(16(20)12-18-11-13-6-7-13)8-3-9-21-15-5-2-4-14(17)10-15/h2,4-5,10,13,18H,3,6-9,11-12H2,1H3
InChIKeyALECRMYADSVTQC-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.57
Rot. Bonds9

About N-[3-(3-chlorophenoxy)propyl]-2-(cyclopropylmethylamino)-N-methylacetamide

N-[3-(3-chlorophenoxy)propyl]-2-(cyclopropylmethylamino)-N-methylacetamide (PubChem CID 119739733) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-[3-(3-chlorophenoxy)propyl]-2-(cyclopropylmethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenoxy)propyl]-2-(cyclopropylmethylamino)-N-methylacetamide
PubChem CID119739733
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-[3-(3-chlorophenoxy)propyl]-2-(cyclopropylmethylamino)-N-methylacetamide
SMILESCN(CCCOc1cccc(Cl)c1)C(=O)CNCC1CC1
InChIInChI=1S/C16H23ClN2O2/c1-19(16(20)12-18-11-13-6-7-13)8-3-9-21-15-5-2-4-14(17)10-15/h2,4-5,10,13,18H,3,6-9,11-12H2,1H3
InChIKeyALECRMYADSVTQC-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.57
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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(3-chlorophenoxy)propyl]-N-methylacetamide;hydrochloride
CID 119739734
N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119739747
2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[3-(3-chlorophenoxy)propyl]-N-methylacetamide
CID 166613961
3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
CID 119298305
N-[2-[2-(3-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 18119826
N-[3-(3-chlorophenoxy)propyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119298309
N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 119937371
2-(cyclopropylmethylamino)-N-(3-methoxypropyl)-N-methylacetamide
CID 63008232
N-[3-(3-chlorophenoxy)propyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-methylpropanamide
CID 55956173
2-(3-chlorophenoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 142231301
5-[2-(3-chlorophenoxy)ethyl-methylamino]-5-oxopentanoic acid
CID 60954113
5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide
CID 120624386

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenoxy)propyl]-2-(cyclopropylmethylamino)-N-methylacetamide?
The IUPAC name of N-[3-(3-chlorophenoxy)propyl]-2-(cyclopropylmethylamino)-N-methylacetamide (CID 119739733) is N-[3-(3-chlorophenoxy)propyl]-2-(cyclopropylmethylamino)-N-methylacetamide.
What is the SMILES notation for N-[3-(3-chlorophenoxy)propyl]-2-(cyclopropylmethylamino)-N-methylacetamide?
The canonical SMILES for N-[3-(3-chlorophenoxy)propyl]-2-(cyclopropylmethylamino)-N-methylacetamide is CN(CCCOc1cccc(Cl)c1)C(=O)CNCC1CC1.
What is the InChIKey of N-[3-(3-chlorophenoxy)propyl]-2-(cyclopropylmethylamino)-N-methylacetamide?
The InChIKey is ALECRMYADSVTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-19(16(20)12-18-11-13-6-7-13)8-3-9-21-15-5-2-4-14(17)10-15/h2,4-5,10,13,18H,3,6-9,11-12H2,1H3.
What are the key properties of N-[3-(3-chlorophenoxy)propyl]-2-(cyclopropylmethylamino)-N-methylacetamide?
N-[3-(3-chlorophenoxy)propyl]-2-(cyclopropylmethylamino)-N-methylacetamide has a molecular weight of 310.82 g/mol, XLogP of 2.57, 9 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]-2-(cyclopropylmethylamino)-N-methylacetamide is sourced from PubChem (CID 119739733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).