N-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide

C14H21ClN2O — CID 109021668

IUPACN-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide
SMILESCCN(CC)CCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-3-17(4-2)10-9-14(18)16-11-12-5-7-13(15)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyUVQOOUXDHLSXCL-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.69
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide

N-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide (PubChem CID 109021668) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide
PubChem CID109021668
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide
SMILESCCN(CC)CCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-3-17(4-2)10-9-14(18)16-11-12-5-7-13(15)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyUVQOOUXDHLSXCL-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-3-(diethylamino)propanamide
CID 109030730
3-[acetyl(propan-2-yl)amino]-N-[(4-chlorophenyl)methyl]propanamide
CID 113115145
N-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide
CID 108946721
1-(4-chlorophenyl)-4-(diethylamino)butan-2-one
CID 79077394
N-[2-(4-chlorophenyl)ethyl]-N'-[2-(diethylamino)ethyl]pentanediamide
CID 3939091
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 8796001
3-(dipropylamino)-N-[(4-methylphenyl)methyl]propanamide
CID 109019798
4-[(4-chlorophenyl)methylamino]-4-oxobutanoic acid
CID 879591
N-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138109
methyl 4-[(4-chlorophenyl)methylamino]-4-oxobutanoate
CID 94691458
2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]acetamide
CID 100610001
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 8779934

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide (CID 109021668) is N-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide is CCN(CC)CCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide?
The InChIKey is UVQOOUXDHLSXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-17(4-2)10-9-14(18)16-11-12-5-7-13(15)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,16,18).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide?
N-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide has a molecular weight of 268.79 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide is sourced from PubChem (CID 109021668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).