N-[(3-chlorophenyl)methyl]-N-ethyl-3-(ethylamino)propanamide

C14H21ClN2O — CID 55121332

IUPACN-[(3-chlorophenyl)methyl]-N-ethyl-3-(ethylamino)propanamide
SMILESCCNCCC(=O)N(CC)Cc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-3-16-9-8-14(18)17(4-2)11-12-6-5-7-13(15)10-12/h5-7,10,16H,3-4,8-9,11H2,1-2H3
InChIKeyYAZHOMDTMSBZON-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.69
Rot. Bonds7

About N-[(3-chlorophenyl)methyl]-N-ethyl-3-(ethylamino)propanamide

N-[(3-chlorophenyl)methyl]-N-ethyl-3-(ethylamino)propanamide (PubChem CID 55121332) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-ethyl-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-ethyl-3-(ethylamino)propanamide
PubChem CID55121332
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[(3-chlorophenyl)methyl]-N-ethyl-3-(ethylamino)propanamide
SMILESCCNCCC(=O)N(CC)Cc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-3-16-9-8-14(18)17(4-2)11-12-6-5-7-13(15)10-12/h5-7,10,16H,3-4,8-9,11H2,1-2H3
InChIKeyYAZHOMDTMSBZON-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

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide
CID 82852385
1-(3-chlorophenyl)-4-(ethylamino)butan-2-one
CID 116565791
3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 64684682
N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide
CID 109022888
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-ethylacetamide
CID 54871025
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 120609034
N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685725
3-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
CID 119723003
2-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
CID 60940145
4-[[(3-chlorophenyl)methyl-ethylcarbamoyl]amino]butanoic acid
CID 122021633
2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119509114
N-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514771

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-ethyl-3-(ethylamino)propanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-ethyl-3-(ethylamino)propanamide (CID 55121332) is N-[(3-chlorophenyl)methyl]-N-ethyl-3-(ethylamino)propanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-ethyl-3-(ethylamino)propanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-ethyl-3-(ethylamino)propanamide is CCNCCC(=O)N(CC)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-ethyl-3-(ethylamino)propanamide?
The InChIKey is YAZHOMDTMSBZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-16-9-8-14(18)17(4-2)11-12-6-5-7-13(15)10-12/h5-7,10,16H,3-4,8-9,11H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-ethyl-3-(ethylamino)propanamide?
N-[(3-chlorophenyl)methyl]-N-ethyl-3-(ethylamino)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-[(3-chlorophenyl)methyl]-N-ethyl-3-(ethylamino)propanamide is sourced from PubChem (CID 55121332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).