N,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide

C15H24N2O — CID 54934589

IUPACN,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide
SMILESCCN(CC)C(=O)CCNCc1cccc(C)c1
InChIInChI=1S/C15H24N2O/c1-4-17(5-2)15(18)9-10-16-12-14-8-6-7-13(3)11-14/h6-8,11,16H,4-5,9-10,12H2,1-3H3
InChIKeySFHHHRYJWVSWDZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.34
Rot. Bonds7

About N,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide

N,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide (PubChem CID 54934589) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide
PubChem CID54934589
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide
SMILESCCN(CC)C(=O)CCNCc1cccc(C)c1
InChIInChI=1S/C15H24N2O/c1-4-17(5-2)15(18)9-10-16-12-14-8-6-7-13(3)11-14/h6-8,11,16H,4-5,9-10,12H2,1-3H3
InChIKeySFHHHRYJWVSWDZ-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.34
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

3-[(3-methylphenyl)methylamino]-N,N-dipropylpropanamide
CID 109019631
3-[(3,4-dimethylphenyl)methylamino]-N,N-diethylpropanamide
CID 54935720
3-[(3-cyanophenyl)methylamino]-N,N-diethylpropanamide
CID 54934968
N,N-diethyl-3-(3-methylphenyl)propanamide
CID 60701900
3-[(2,5-dimethylphenyl)methylamino]-N,N-diethylpropanamide
CID 60960943
3-[(2,6-dichlorophenyl)methylamino]-N,N-diethylpropanamide
CID 54935527
3-[(2,3-dimethylphenyl)methylamino]-N,N-diethylpropanamide
CID 54944678
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide
CID 60925597
N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019412
N,N-dimethyl-3-[2-(3-methylphenyl)ethylamino]propanamide
CID 55062373
methyl 4-[(3-methylphenyl)methylamino]butanoate
CID 60694757
3-[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]-N,N-dimethylpropanamide
CID 87007743

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide?
The IUPAC name of N,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide (CID 54934589) is N,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide?
The canonical SMILES for N,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide is CCN(CC)C(=O)CCNCc1cccc(C)c1.
What is the InChIKey of N,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide?
The InChIKey is SFHHHRYJWVSWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-17(5-2)15(18)9-10-16-12-14-8-6-7-13(3)11-14/h6-8,11,16H,4-5,9-10,12H2,1-3H3.
What are the key properties of N,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide?
N,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide has a molecular weight of 248.37 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 54934589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).