4-methyl-N-(3-propan-2-yloxypropyl)benzamide

C14H21NO2 — CID 58973544

IUPAC4-methyl-N-(3-propan-2-yloxypropyl)benzamide
SMILESCc1ccc(C(=O)NCCCOC(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-11(2)17-10-4-9-15-14(16)13-7-5-12(3)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H,15,16)
InChIKeyMGZNCYIWTSQBKM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.54
Rot. Bonds6

About 4-methyl-N-(3-propan-2-yloxypropyl)benzamide

4-methyl-N-(3-propan-2-yloxypropyl)benzamide (PubChem CID 58973544) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-methyl-N-(3-propan-2-yloxypropyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(3-propan-2-yloxypropyl)benzamide
PubChem CID58973544
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-methyl-N-(3-propan-2-yloxypropyl)benzamide
SMILESCc1ccc(C(=O)NCCCOC(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-11(2)17-10-4-9-15-14(16)13-7-5-12(3)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H,15,16)
InChIKeyMGZNCYIWTSQBKM-UHFFFAOYSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 54385024
N-(3-aminooxypropyl)-4-methylbenzamide
CID 39242066
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695
4-phenoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 4825822
4-(2-methylpropanoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 7376221
N-(3-propan-2-yloxypropyl)-4-(2H-tetrazol-5-yl)benzamide
CID 25487562
N'-[(4-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 3126766
4-chloro-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]benzamide
CID 30877404
3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)benzamide
CID 19062794
4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 104759817
N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide
CID 110485660
2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 100709096

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-propan-2-yloxypropyl)benzamide?
The IUPAC name of 4-methyl-N-(3-propan-2-yloxypropyl)benzamide (CID 58973544) is 4-methyl-N-(3-propan-2-yloxypropyl)benzamide.
What is the SMILES notation for 4-methyl-N-(3-propan-2-yloxypropyl)benzamide?
The canonical SMILES for 4-methyl-N-(3-propan-2-yloxypropyl)benzamide is Cc1ccc(C(=O)NCCCOC(C)C)cc1.
What is the InChIKey of 4-methyl-N-(3-propan-2-yloxypropyl)benzamide?
The InChIKey is MGZNCYIWTSQBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(2)17-10-4-9-15-14(16)13-7-5-12(3)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H,15,16).
What are the key properties of 4-methyl-N-(3-propan-2-yloxypropyl)benzamide?
4-methyl-N-(3-propan-2-yloxypropyl)benzamide has a molecular weight of 235.33 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-propan-2-yloxypropyl)benzamide is sourced from PubChem (CID 58973544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).