3-[(3-methylphenyl)methylamino]-N,N-dipropylpropanamide

C17H28N2O — CID 109019631

IUPAC3-[(3-methylphenyl)methylamino]-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCNCc1cccc(C)c1
InChIInChI=1S/C17H28N2O/c1-4-11-19(12-5-2)17(20)9-10-18-14-16-8-6-7-15(3)13-16/h6-8,13,18H,4-5,9-12,14H2,1-3H3
InChIKeyMRKWGTGKXUXMLE-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.12
Rot. Bonds9

About 3-[(3-methylphenyl)methylamino]-N,N-dipropylpropanamide

3-[(3-methylphenyl)methylamino]-N,N-dipropylpropanamide (PubChem CID 109019631) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methylamino]-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-[(3-methylphenyl)methylamino]-N,N-dipropylpropanamide
PubChem CID109019631
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-[(3-methylphenyl)methylamino]-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCNCc1cccc(C)c1
InChIInChI=1S/C17H28N2O/c1-4-11-19(12-5-2)17(20)9-10-18-14-16-8-6-7-15(3)13-16/h6-8,13,18H,4-5,9-12,14H2,1-3H3
InChIKeyMRKWGTGKXUXMLE-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.12
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,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide
CID 54934589
3-(benzylamino)-N,N-dipropylpropanamide
CID 109018966
N-(2-aminoethyl)-3-(3-methylphenyl)-N-propylpropanamide
CID 62367401
3-[(2-methylphenyl)methylamino]-N,N-dipropylpropanamide
CID 109019300
3-(2-phenylethylamino)-N,N-dipropylpropanamide
CID 109024274
2-N-[(3-methylphenyl)methyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109097438
N-[(3-methylphenyl)methyl]-2-propylsulfonylethanamine
CID 106723289
3-[(3,4-dimethylphenyl)methylamino]-N,N-diethylpropanamide
CID 54935720
N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019412
ethyl 2-[3-(3-methylphenyl)propanoyl-propylamino]acetate
CID 61073689
3-[(3-cyanophenyl)methylamino]-N,N-diethylpropanamide
CID 54934968
methyl 4-[(3-methylphenyl)methylamino]butanoate
CID 60694757

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methylamino]-N,N-dipropylpropanamide?
The IUPAC name of 3-[(3-methylphenyl)methylamino]-N,N-dipropylpropanamide (CID 109019631) is 3-[(3-methylphenyl)methylamino]-N,N-dipropylpropanamide.
What is the SMILES notation for 3-[(3-methylphenyl)methylamino]-N,N-dipropylpropanamide?
The canonical SMILES for 3-[(3-methylphenyl)methylamino]-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCNCc1cccc(C)c1.
What is the InChIKey of 3-[(3-methylphenyl)methylamino]-N,N-dipropylpropanamide?
The InChIKey is MRKWGTGKXUXMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-11-19(12-5-2)17(20)9-10-18-14-16-8-6-7-15(3)13-16/h6-8,13,18H,4-5,9-12,14H2,1-3H3.
What are the key properties of 3-[(3-methylphenyl)methylamino]-N,N-dipropylpropanamide?
3-[(3-methylphenyl)methylamino]-N,N-dipropylpropanamide has a molecular weight of 276.42 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methylamino]-N,N-dipropylpropanamide is sourced from PubChem (CID 109019631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).