N-(4-methylphenyl)-3-(2-methylpropylamino)propanamide

C14H22N2O — CID 109012816

IUPACN-(4-methylphenyl)-3-(2-methylpropylamino)propanamide
SMILESCc1ccc(NC(=O)CCNCC(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-11(2)10-15-9-8-14(17)16-13-6-4-12(3)5-7-13/h4-7,11,15H,8-10H2,1-3H3,(H,16,17)
InChIKeyFKPTZQUDMGRRHB-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.57
Rot. Bonds6

About N-(4-methylphenyl)-3-(2-methylpropylamino)propanamide

N-(4-methylphenyl)-3-(2-methylpropylamino)propanamide (PubChem CID 109012816) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-(2-methylpropylamino)propanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-(2-methylpropylamino)propanamide
PubChem CID109012816
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(4-methylphenyl)-3-(2-methylpropylamino)propanamide
SMILESCc1ccc(NC(=O)CCNCC(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-11(2)10-15-9-8-14(17)16-13-6-4-12(3)5-7-13/h4-7,11,15H,8-10H2,1-3H3,(H,16,17)
InChIKeyFKPTZQUDMGRRHB-UHFFFAOYSA-N
XLogP2.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.57
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-(dimethylamino)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012874
N-(4-ethoxyphenyl)-3-(2-methylpropylamino)propanamide
CID 109012855
3-[(4-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)propanamide
CID 109019987
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012880
(2R)-2-chloro-N-[3-(4-methylanilino)-3-oxopropyl]propanamide
CID 40803222
N-(4-bromophenyl)-3-(3-methylbutylamino)propanamide
CID 109032040
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
2-[[4-(4-methylanilino)-4-oxobutanoyl]amino]propanoic acid
CID 82043438
(2R)-2-bromo-N-[3-(4-methylanilino)-3-oxopropyl]butanamide
CID 40803225
N-(3,4-dimethylphenyl)-3-(3-methylbutylamino)propanamide
CID 109032012
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-(4-methylphenyl)pentanamide
CID 3662375

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-(2-methylpropylamino)propanamide?
The IUPAC name of N-(4-methylphenyl)-3-(2-methylpropylamino)propanamide (CID 109012816) is N-(4-methylphenyl)-3-(2-methylpropylamino)propanamide.
What is the SMILES notation for N-(4-methylphenyl)-3-(2-methylpropylamino)propanamide?
The canonical SMILES for N-(4-methylphenyl)-3-(2-methylpropylamino)propanamide is Cc1ccc(NC(=O)CCNCC(C)C)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-(2-methylpropylamino)propanamide?
The InChIKey is FKPTZQUDMGRRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)10-15-9-8-14(17)16-13-6-4-12(3)5-7-13/h4-7,11,15H,8-10H2,1-3H3,(H,16,17).
What are the key properties of N-(4-methylphenyl)-3-(2-methylpropylamino)propanamide?
N-(4-methylphenyl)-3-(2-methylpropylamino)propanamide has a molecular weight of 234.34 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-(2-methylpropylamino)propanamide is sourced from PubChem (CID 109012816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).