N-methyl-8-[(4-methylphenyl)carbamoylamino]-2-oxooctanamide

C17H25N3O3 — CID 70068338

IUPACN-methyl-8-[(4-methylphenyl)carbamoylamino]-2-oxooctanamide
SMILESCNC(=O)C(=O)CCCCCCNC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H25N3O3/c1-13-8-10-14(11-9-13)20-17(23)19-12-6-4-3-5-7-15(21)16(22)18-2/h8-11H,3-7,12H2,1-2H3,(H,18,22)(H2,19,20,23)
InChIKeyQXFMGNPCAAAXOD-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.38
Rot. Bonds9

About N-methyl-8-[(4-methylphenyl)carbamoylamino]-2-oxooctanamide

N-methyl-8-[(4-methylphenyl)carbamoylamino]-2-oxooctanamide (PubChem CID 70068338) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-methyl-8-[(4-methylphenyl)carbamoylamino]-2-oxooctanamide.

Molecular Properties

Compound NameN-methyl-8-[(4-methylphenyl)carbamoylamino]-2-oxooctanamide
PubChem CID70068338
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-methyl-8-[(4-methylphenyl)carbamoylamino]-2-oxooctanamide
SMILESCNC(=O)C(=O)CCCCCCNC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H25N3O3/c1-13-8-10-14(11-9-13)20-17(23)19-12-6-4-3-5-7-15(21)16(22)18-2/h8-11H,3-7,12H2,1-2H3,(H,18,22)(H2,19,20,23)
InChIKeyQXFMGNPCAAAXOD-UHFFFAOYSA-N
XLogP2.38
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminobutyl)-3-(4-methylphenyl)urea;hydrochloride
CID 163284843
1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea
CID 62659113
1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)urea
CID 47103513
1-(4-methylphenyl)-3-(6-oxoheptyl)thiourea
CID 144635963
1-(4-methylphenyl)-3-(3-sulfamoylpropyl)urea
CID 61131417
1-(4-amino-4-hydroxyiminobutyl)-3-(4-methylphenyl)urea
CID 76953357
1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea
CID 4604027
1-(4-methylphenyl)-3-[(E)-pent-3-enyl]urea
CID 115629212
N-(6-hydroxyhexyl)-N'-(4-methylphenyl)oxamide
CID 103917957
6-[(3,4-dimethylphenyl)carbamoylamino]hexanoic acid
CID 61190966
1-(5-hydroxy-4,4-dimethylpentyl)-3-(4-methylphenyl)urea
CID 111472686
6-[(4-ethylphenyl)carbamoylamino]hexanoic acid
CID 61189525

Frequently Asked Questions

What is the IUPAC name of N-methyl-8-[(4-methylphenyl)carbamoylamino]-2-oxooctanamide?
The IUPAC name of N-methyl-8-[(4-methylphenyl)carbamoylamino]-2-oxooctanamide (CID 70068338) is N-methyl-8-[(4-methylphenyl)carbamoylamino]-2-oxooctanamide.
What is the SMILES notation for N-methyl-8-[(4-methylphenyl)carbamoylamino]-2-oxooctanamide?
The canonical SMILES for N-methyl-8-[(4-methylphenyl)carbamoylamino]-2-oxooctanamide is CNC(=O)C(=O)CCCCCCNC(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-methyl-8-[(4-methylphenyl)carbamoylamino]-2-oxooctanamide?
The InChIKey is QXFMGNPCAAAXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-13-8-10-14(11-9-13)20-17(23)19-12-6-4-3-5-7-15(21)16(22)18-2/h8-11H,3-7,12H2,1-2H3,(H,18,22)(H2,19,20,23).
What are the key properties of N-methyl-8-[(4-methylphenyl)carbamoylamino]-2-oxooctanamide?
N-methyl-8-[(4-methylphenyl)carbamoylamino]-2-oxooctanamide has a molecular weight of 319.41 g/mol, XLogP of 2.38, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-[(4-methylphenyl)carbamoylamino]-2-oxooctanamide is sourced from PubChem (CID 70068338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).