N-[(4-methylphenyl)methyl]-4-(propan-2-ylamino)butanamide

C15H24N2O — CID 60850941

IUPACN-[(4-methylphenyl)methyl]-4-(propan-2-ylamino)butanamide
SMILESCc1ccc(CNC(=O)CCCNC(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-12(2)16-10-4-5-15(18)17-11-14-8-6-13(3)7-9-14/h6-9,12,16H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyKDRXOKLJGAFKGU-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.39
Rot. Bonds7

About N-[(4-methylphenyl)methyl]-4-(propan-2-ylamino)butanamide

N-[(4-methylphenyl)methyl]-4-(propan-2-ylamino)butanamide (PubChem CID 60850941) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-4-(propan-2-ylamino)butanamide
PubChem CID60850941
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(4-methylphenyl)methyl]-4-(propan-2-ylamino)butanamide
SMILESCc1ccc(CNC(=O)CCCNC(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-12(2)16-10-4-5-15(18)17-11-14-8-6-13(3)7-9-14/h6-9,12,16H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyKDRXOKLJGAFKGU-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
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

N-[(4-methylphenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60853234
N-[(6-methyl-3-pyridinyl)methyl]-4-(propan-2-ylamino)butanamide
CID 62997361
N-[(4-ethylphenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 103795066
2,2-dimethyl-N-[4-[(4-methylphenyl)methylamino]-4-oxobutyl]propanamide
CID 34080191
N-[(1-methylpyrrol-3-yl)methyl]-4-(propan-2-ylamino)butanamide
CID 114182663
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852513
N-[(4-methylphenyl)methyl]butanamide
CID 835678
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
5-(carbamoylamino)-N-[(4-methylphenyl)methyl]pentanamide
CID 33239098
6-acetamido-N-[(4-methylphenyl)methyl]hexanamide
CID 112763501
N-(naphthalen-1-ylmethyl)-4-(propan-2-ylamino)butanamide
CID 62369293

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-4-(propan-2-ylamino)butanamide (CID 60850941) is N-[(4-methylphenyl)methyl]-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-4-(propan-2-ylamino)butanamide is Cc1ccc(CNC(=O)CCCNC(C)C)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-4-(propan-2-ylamino)butanamide?
The InChIKey is KDRXOKLJGAFKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)16-10-4-5-15(18)17-11-14-8-6-13(3)7-9-14/h6-9,12,16H,4-5,10-11H2,1-3H3,(H,17,18).
What are the key properties of N-[(4-methylphenyl)methyl]-4-(propan-2-ylamino)butanamide?
N-[(4-methylphenyl)methyl]-4-(propan-2-ylamino)butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 60850941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).