N'-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)oxamide

C15H22N2O3 — CID 2271541

IUPACN'-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)oxamide
SMILESCc1ccccc1NC(=O)C(=O)NCCCOC(C)C
InChIInChI=1S/C15H22N2O3/c1-11(2)20-10-6-9-16-14(18)15(19)17-13-8-5-4-7-12(13)3/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyUPMKXQGZZDHMPZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.86
Rot. Bonds6

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

N'-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)oxamide (PubChem CID 2271541) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N'-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)oxamide.

Molecular Properties

Compound NameN'-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)oxamide
PubChem CID2271541
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN'-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)oxamide
SMILESCc1ccccc1NC(=O)C(=O)NCCCOC(C)C
InChIInChI=1S/C15H22N2O3/c1-11(2)20-10-6-9-16-14(18)15(19)17-13-8-5-4-7-12(13)3/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyUPMKXQGZZDHMPZ-UHFFFAOYSA-N
XLogP1.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.86
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'-(6-methyl-2-pyridinyl)-N-(3-propan-2-yloxypropyl)oxamide
CID 108525224
N-(3-hydroxy-4-methylpentyl)-N'-(2-methylphenyl)oxamide
CID 111490774
N'-[(4-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 3126766
N-(2,2-dimethoxyethyl)-N'-(2-methylphenyl)oxamide
CID 7541682
N'-[(3-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 2174276
4-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide
CID 18129546
N'-(2,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide
CID 6618309
N'-(4-pentoxyphenyl)-N-(3-propan-2-yloxypropyl)oxamide
CID 126147164
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
(2R)-2-phenoxy-N-(3-propan-2-yloxypropyl)propanamide
CID 2227382
N'-(2-bromophenyl)-N-(3-ethoxypropyl)oxamide
CID 4614833
N-(3-methoxypropyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108506360

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)oxamide?
The IUPAC name of N'-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)oxamide (CID 2271541) is N'-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)oxamide.
What is the SMILES notation for N'-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)oxamide?
The canonical SMILES for N'-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)oxamide is Cc1ccccc1NC(=O)C(=O)NCCCOC(C)C.
What is the InChIKey of N'-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)oxamide?
The InChIKey is UPMKXQGZZDHMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)20-10-6-9-16-14(18)15(19)17-13-8-5-4-7-12(13)3/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N'-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)oxamide?
N'-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)oxamide has a molecular weight of 278.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)oxamide is sourced from PubChem (CID 2271541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).