N-[(3-chlorophenyl)methyl]-N-methyl-2-(propylamino)acetamide

C13H19ClN2O — CID 60687586

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-2-(propylamino)acetamide
SMILESCCCNCC(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-3-7-15-9-13(17)16(2)10-11-5-4-6-12(14)8-11/h4-6,8,15H,3,7,9-10H2,1-2H3
InChIKeyJJHDBYDGRLSUFL-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.30
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-N-methyl-2-(propylamino)acetamide

N-[(3-chlorophenyl)methyl]-N-methyl-2-(propylamino)acetamide (PubChem CID 60687586) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-2-(propylamino)acetamide
PubChem CID60687586
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-2-(propylamino)acetamide
SMILESCCCNCC(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-3-7-15-9-13(17)16(2)10-11-5-4-6-12(14)8-11/h4-6,8,15H,3,7,9-10H2,1-2H3
InChIKeyJJHDBYDGRLSUFL-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.30
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

N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685725
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60648313
N-benzyl-2-(butylamino)-N-methylacetamide
CID 54816784
N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 18112585
4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 63309428
N-benzyl-2-[(3-chlorophenyl)methylsulfonylamino]-N-methylacetamide
CID 22300743
1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea
CID 115618548
2-[[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62695230
3-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 64685066
N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 112792298
2-[[butylamino-[(3-chlorophenyl)methyl-methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111305243
2-tert-butylsulfanyl-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 78771093

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-2-(propylamino)acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-2-(propylamino)acetamide (CID 60687586) is N-[(3-chlorophenyl)methyl]-N-methyl-2-(propylamino)acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-2-(propylamino)acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-2-(propylamino)acetamide is CCCNCC(=O)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-2-(propylamino)acetamide?
The InChIKey is JJHDBYDGRLSUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-7-15-9-13(17)16(2)10-11-5-4-6-12(14)8-11/h4-6,8,15H,3,7,9-10H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-2-(propylamino)acetamide?
N-[(3-chlorophenyl)methyl]-N-methyl-2-(propylamino)acetamide has a molecular weight of 254.76 g/mol, XLogP of 2.30, 6 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-methyl-2-(propylamino)acetamide is sourced from PubChem (CID 60687586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).