N'-[(4-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide

C16H24N2O3 — CID 3126766

IUPACN'-[(4-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide
SMILESCc1ccc(CNC(=O)C(=O)NCCCOC(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-12(2)21-10-4-9-17-15(19)16(20)18-11-14-7-5-13(3)6-8-14/h5-8,12H,4,9-11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyFNHMHCYRDRGOTQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.54
Rot. Bonds7

About N'-[(4-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide

N'-[(4-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide (PubChem CID 3126766) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N'-[(4-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide.

Molecular Properties

Compound NameN'-[(4-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide
PubChem CID3126766
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN'-[(4-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide
SMILESCc1ccc(CNC(=O)C(=O)NCCCOC(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-12(2)21-10-4-9-17-15(19)16(20)18-11-14-7-5-13(3)6-8-14/h5-8,12H,4,9-11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyFNHMHCYRDRGOTQ-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'-[(3-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 2174276
N-(3-ethoxypropyl)-N'-[(4-methylphenyl)methyl]oxamide
CID 2209969
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
N-[(4-methylphenyl)methyl]-N'-propan-2-yloxamide
CID 2271421
N-[(4-methylphenyl)methyl]-N'-(2-methylpropyl)oxamide
CID 2274015
N-[2-(4-methoxyphenoxy)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 108518165
N'-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)oxamide
CID 2271541
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide
CID 100750759
N-ethyl-N'-[(4-methylphenyl)methyl]oxamide
CID 2291435
4-[(3-propan-2-yloxypropylamino)methyl]benzoic acid
CID 17207100

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide?
The IUPAC name of N'-[(4-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide (CID 3126766) is N'-[(4-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide.
What is the SMILES notation for N'-[(4-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide?
The canonical SMILES for N'-[(4-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide is Cc1ccc(CNC(=O)C(=O)NCCCOC(C)C)cc1.
What is the InChIKey of N'-[(4-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide?
The InChIKey is FNHMHCYRDRGOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(2)21-10-4-9-17-15(19)16(20)18-11-14-7-5-13(3)6-8-14/h5-8,12H,4,9-11H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N'-[(4-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide?
N'-[(4-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'-[(4-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide is sourced from PubChem (CID 3126766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).