N-[4-(3-aminopropoxy)phenyl]-N-methylcyclopropanecarboxamide

C14H20N2O2 — CID 28755916

IUPACN-[4-(3-aminopropoxy)phenyl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)c1ccc(OCCCN)cc1
InChIInChI=1S/C14H20N2O2/c1-16(14(17)11-3-4-11)12-5-7-13(8-6-12)18-10-2-9-15/h5-8,11H,2-4,9-10,15H2,1H3
InChIKeyKHVQTMBFBTYXTE-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.79
Rot. Bonds6

About N-[4-(3-aminopropoxy)phenyl]-N-methylcyclopropanecarboxamide

N-[4-(3-aminopropoxy)phenyl]-N-methylcyclopropanecarboxamide (PubChem CID 28755916) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[4-(3-aminopropoxy)phenyl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(3-aminopropoxy)phenyl]-N-methylcyclopropanecarboxamide
PubChem CID28755916
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[4-(3-aminopropoxy)phenyl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)c1ccc(OCCCN)cc1
InChIInChI=1S/C14H20N2O2/c1-16(14(17)11-3-4-11)12-5-7-13(8-6-12)18-10-2-9-15/h5-8,11H,2-4,9-10,15H2,1H3
InChIKeyKHVQTMBFBTYXTE-UHFFFAOYSA-N
XLogP1.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.79
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-[4-(3-aminopropoxy)phenyl]-N-methylpropanamide
CID 28755910
N-(4-tert-butylphenyl)-N-methylcyclopropanecarboxamide
CID 69029843
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737
3-amino-N-methyl-N-(4-propoxyphenyl)propanamide
CID 98784032
1-N-(4-ethoxyphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150541
N-[4-[3-(4-chlorophenoxy)propoxy]phenyl]-N-methylacetamide
CID 166215355
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide
CID 60629010
2-[[4-[cyclopropanecarbonyl(methyl)amino]phenoxy]methyl]-4,6-difluoroindole-1-carboxylic acid
CID 69296403
1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 167980780
N-methyl-N-(4-methylsulfonylphenyl)cyclopropanecarboxamide
CID 136579118
4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237916
N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-N-methylacetamide
CID 67235001

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopropoxy)phenyl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[4-(3-aminopropoxy)phenyl]-N-methylcyclopropanecarboxamide (CID 28755916) is N-[4-(3-aminopropoxy)phenyl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[4-(3-aminopropoxy)phenyl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[4-(3-aminopropoxy)phenyl]-N-methylcyclopropanecarboxamide is CN(C(=O)C1CC1)c1ccc(OCCCN)cc1.
What is the InChIKey of N-[4-(3-aminopropoxy)phenyl]-N-methylcyclopropanecarboxamide?
The InChIKey is KHVQTMBFBTYXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(14(17)11-3-4-11)12-5-7-13(8-6-12)18-10-2-9-15/h5-8,11H,2-4,9-10,15H2,1H3.
What are the key properties of N-[4-(3-aminopropoxy)phenyl]-N-methylcyclopropanecarboxamide?
N-[4-(3-aminopropoxy)phenyl]-N-methylcyclopropanecarboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopropoxy)phenyl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 28755916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).