N-[(3-methylphenyl)methyl]-3-(2-methylpropylamino)propanamide

C15H24N2O — CID 109012751

IUPACN-[(3-methylphenyl)methyl]-3-(2-methylpropylamino)propanamide
SMILESCc1cccc(CNC(=O)CCNCC(C)C)c1
InChIInChI=1S/C15H24N2O/c1-12(2)10-16-8-7-15(18)17-11-14-6-4-5-13(3)9-14/h4-6,9,12,16H,7-8,10-11H2,1-3H3,(H,17,18)
InChIKeyCUDYCBZALLNKKY-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.25
Rot. Bonds7

About N-[(3-methylphenyl)methyl]-3-(2-methylpropylamino)propanamide

N-[(3-methylphenyl)methyl]-3-(2-methylpropylamino)propanamide (PubChem CID 109012751) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-3-(2-methylpropylamino)propanamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-3-(2-methylpropylamino)propanamide
PubChem CID109012751
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(3-methylphenyl)methyl]-3-(2-methylpropylamino)propanamide
SMILESCc1cccc(CNC(=O)CCNCC(C)C)c1
InChIInChI=1S/C15H24N2O/c1-12(2)10-16-8-7-15(18)17-11-14-6-4-5-13(3)9-14/h4-6,9,12,16H,7-8,10-11H2,1-3H3,(H,17,18)
InChIKeyCUDYCBZALLNKKY-UHFFFAOYSA-N
XLogP2.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 134063149
N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019412
3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 109019416
1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea
CID 47159778
N-[(3-methylphenyl)methyl]-3-(4-propan-2-ylanilino)propanamide
CID 109019488
3-chloro-N-[(3-methylphenyl)methyl]propanamide
CID 60913115
3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 37430844
N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019580
3-[(2-methoxyphenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 109019419
3-(2,6-diethylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019490
3-methoxy-N-[(3-methylphenyl)methyl]propanamide
CID 71248457
N-benzyl-3-(2-hydroxypropylamino)propanamide
CID 54048354

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-3-(2-methylpropylamino)propanamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-3-(2-methylpropylamino)propanamide (CID 109012751) is N-[(3-methylphenyl)methyl]-3-(2-methylpropylamino)propanamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-3-(2-methylpropylamino)propanamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-3-(2-methylpropylamino)propanamide is Cc1cccc(CNC(=O)CCNCC(C)C)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-3-(2-methylpropylamino)propanamide?
The InChIKey is CUDYCBZALLNKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)10-16-8-7-15(18)17-11-14-6-4-5-13(3)9-14/h4-6,9,12,16H,7-8,10-11H2,1-3H3,(H,17,18).
What are the key properties of N-[(3-methylphenyl)methyl]-3-(2-methylpropylamino)propanamide?
N-[(3-methylphenyl)methyl]-3-(2-methylpropylamino)propanamide has a molecular weight of 248.37 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-3-(2-methylpropylamino)propanamide is sourced from PubChem (CID 109012751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).