N-(2-amino-2-oxoethyl)-5-(4-methylphenyl)pentanamide

C14H20N2O2 — CID 56784821

IUPACN-(2-amino-2-oxoethyl)-5-(4-methylphenyl)pentanamide
SMILESCc1ccc(CCCCC(=O)NCC(N)=O)cc1
InChIInChI=1S/C14H20N2O2/c1-11-6-8-12(9-7-11)4-2-3-5-14(18)16-10-13(15)17/h6-9H,2-5,10H2,1H3,(H2,15,17)(H,16,18)
InChIKeyZPFUYTFTJJSQQW-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.31
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-5-(4-methylphenyl)pentanamide

N-(2-amino-2-oxoethyl)-5-(4-methylphenyl)pentanamide (PubChem CID 56784821) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-(4-methylphenyl)pentanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-(4-methylphenyl)pentanamide
PubChem CID56784821
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(2-amino-2-oxoethyl)-5-(4-methylphenyl)pentanamide
SMILESCc1ccc(CCCCC(=O)NCC(N)=O)cc1
InChIInChI=1S/C14H20N2O2/c1-11-6-8-12(9-7-11)4-2-3-5-14(18)16-10-13(15)17/h6-9H,2-5,10H2,1H3,(H2,15,17)(H,16,18)
InChIKeyZPFUYTFTJJSQQW-UHFFFAOYSA-N
XLogP1.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.31
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

methyl (2S)-2-[5-(4-methylphenyl)pentanoylamino]propanoate
CID 86865868
2-[3-(4-methylphenyl)propanoylamino]acetic acid
CID 43354539
N-(2-amino-2-phenylethyl)-5-(4-methylphenyl)pentanamide
CID 119527817
N-(2,2-dimethylpropyl)-4-(4-methylphenyl)butanamide
CID 177221343
N-(1-amino-2-methylpropan-2-yl)-5-(4-methylphenyl)pentanamide
CID 119522094
N-[(2R)-2-(ethylamino)propyl]-5-(4-methylphenyl)pentanamide
CID 120651415
butanoic acid;N-butyl-5-(4-methylphenyl)pentanamide
CID 178048626
N-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide
CID 9295558
N-(2-amino-2-oxoethyl)-3-[4-(dimethylamino)phenyl]propanamide
CID 60717379
18-[4-(18-amino-18-oxooctadecyl)phenyl]octadecanamide
CID 66765992
10-(4-methylphenyl)decanoic acid
CID 54262490
5-(carbamoylamino)-N-[(4-methylphenyl)methyl]pentanamide
CID 33239098

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-(4-methylphenyl)pentanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-(4-methylphenyl)pentanamide (CID 56784821) is N-(2-amino-2-oxoethyl)-5-(4-methylphenyl)pentanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-(4-methylphenyl)pentanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-(4-methylphenyl)pentanamide is Cc1ccc(CCCCC(=O)NCC(N)=O)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-(4-methylphenyl)pentanamide?
The InChIKey is ZPFUYTFTJJSQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-6-8-12(9-7-11)4-2-3-5-14(18)16-10-13(15)17/h6-9H,2-5,10H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of N-(2-amino-2-oxoethyl)-5-(4-methylphenyl)pentanamide?
N-(2-amino-2-oxoethyl)-5-(4-methylphenyl)pentanamide has a molecular weight of 248.33 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5-(4-methylphenyl)pentanamide is sourced from PubChem (CID 56784821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).