N'-[(3-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide

C16H24N2O3 — CID 2174276

IUPACN'-[(3-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide
SMILESCc1cccc(CNC(=O)C(=O)NCCCOC(C)C)c1
InChIInChI=1S/C16H24N2O3/c1-12(2)21-9-5-8-17-15(19)16(20)18-11-14-7-4-6-13(3)10-14/h4,6-7,10,12H,5,8-9,11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyRZMNKSGCSJIBFR-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.54
Rot. Bonds7

About N'-[(3-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide

N'-[(3-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide (PubChem CID 2174276) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N'-[(3-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide.

Molecular Properties

Compound NameN'-[(3-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide
PubChem CID2174276
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN'-[(3-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide
SMILESCc1cccc(CNC(=O)C(=O)NCCCOC(C)C)c1
InChIInChI=1S/C16H24N2O3/c1-12(2)21-9-5-8-17-15(19)16(20)18-11-14-7-4-6-13(3)10-14/h4,6-7,10,12H,5,8-9,11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyRZMNKSGCSJIBFR-UHFFFAOYSA-N
XLogP1.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
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

N'-[(4-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 3126766
N-butyl-N'-[(3-methylphenyl)methyl]oxamide
CID 108983947
N'-[(3-methylphenyl)methyl]-N-(3-phenylpropyl)oxamide
CID 108984715
2-(3-methylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 39364235
1-N-(3-methoxypropyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052676
N-[2-(4-methoxyphenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 108984688
N'-[[3-(aminomethyl)phenyl]methyl]-N-(3-methoxypropyl)oxamide
CID 108506373
N-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 108984728
N'-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)oxamide
CID 2212242
N'-(6-methyl-2-pyridinyl)-N-(3-propan-2-yloxypropyl)oxamide
CID 108525224
ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 169133923
N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 86919833

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide?
The IUPAC name of N'-[(3-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide (CID 2174276) is N'-[(3-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide.
What is the SMILES notation for N'-[(3-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide?
The canonical SMILES for N'-[(3-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide is Cc1cccc(CNC(=O)C(=O)NCCCOC(C)C)c1.
What is the InChIKey of N'-[(3-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide?
The InChIKey is RZMNKSGCSJIBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(2)21-9-5-8-17-15(19)16(20)18-11-14-7-4-6-13(3)10-14/h4,6-7,10,12H,5,8-9,11H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N'-[(3-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide?
N'-[(3-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide has a molecular weight of 292.38 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide is sourced from PubChem (CID 2174276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).