N-(4-methyl-2-propoxyphenyl)butanamide

C14H21NO2 — CID 61061572

IUPACN-(4-methyl-2-propoxyphenyl)butanamide
SMILESCCCOc1cc(C)ccc1NC(=O)CCC
InChIInChI=1S/C14H21NO2/c1-4-6-14(16)15-12-8-7-11(3)10-13(12)17-9-5-2/h7-8,10H,4-6,9H2,1-3H3,(H,15,16)
InChIKeyCCTGBQAJBJPJOG-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.52
Rot. Bonds6

About N-(4-methyl-2-propoxyphenyl)butanamide

N-(4-methyl-2-propoxyphenyl)butanamide (PubChem CID 61061572) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(4-methyl-2-propoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(4-methyl-2-propoxyphenyl)butanamide
PubChem CID61061572
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(4-methyl-2-propoxyphenyl)butanamide
SMILESCCCOc1cc(C)ccc1NC(=O)CCC
InChIInChI=1S/C14H21NO2/c1-4-6-14(16)15-12-8-7-11(3)10-13(12)17-9-5-2/h7-8,10H,4-6,9H2,1-3H3,(H,15,16)
InChIKeyCCTGBQAJBJPJOG-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-methyl-2-propoxyanilino)-6-oxohexanoic acid
CID 60934555
2-methoxy-N-(4-methyl-2-propoxyphenyl)acetamide
CID 61062328
2-(tert-butylamino)-N-(4-methyl-2-propoxyphenyl)acetamide
CID 78923766
2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
2-(4-bromophenoxy)-N-(4-methyl-2-propoxyphenyl)acetamide
CID 55901846
2-[1-(aminomethyl)cyclobutyl]-N-(4-methyl-2-propoxyphenyl)acetamide
CID 81173247
phenyl N-(4-methyl-2-propoxyphenyl)carbamate
CID 61216988
N-(4-methyl-2-propoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 55902104
1-(4-methyl-2-propoxyphenyl)-3-(2-methylpropyl)urea
CID 47262023
N-(4-methyl-2-propoxyphenyl)naphthalene-1-carboxamide
CID 60534076
ethyl 4-(3-aminopropanoylamino)-3-propoxybenzoate
CID 82350176
N-(2-ethoxy-4-methylphenyl)-3-(propan-2-ylamino)propanamide
CID 54862887

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-propoxyphenyl)butanamide?
The IUPAC name of N-(4-methyl-2-propoxyphenyl)butanamide (CID 61061572) is N-(4-methyl-2-propoxyphenyl)butanamide.
What is the SMILES notation for N-(4-methyl-2-propoxyphenyl)butanamide?
The canonical SMILES for N-(4-methyl-2-propoxyphenyl)butanamide is CCCOc1cc(C)ccc1NC(=O)CCC.
What is the InChIKey of N-(4-methyl-2-propoxyphenyl)butanamide?
The InChIKey is CCTGBQAJBJPJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-6-14(16)15-12-8-7-11(3)10-13(12)17-9-5-2/h7-8,10H,4-6,9H2,1-3H3,(H,15,16).
What are the key properties of N-(4-methyl-2-propoxyphenyl)butanamide?
N-(4-methyl-2-propoxyphenyl)butanamide has a molecular weight of 235.33 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-propoxyphenyl)butanamide is sourced from PubChem (CID 61061572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).