N-(3-methyl-4-propoxyphenyl)propanamide

C13H19NO2 — CID 130460979

IUPACN-(3-methyl-4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(NC(=O)CC)cc1C
InChIInChI=1S/C13H19NO2/c1-4-8-16-12-7-6-11(9-10(12)3)14-13(15)5-2/h6-7,9H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyPBMPEYVBEMLVSO-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.13
Rot. Bonds5

About N-(3-methyl-4-propoxyphenyl)propanamide

N-(3-methyl-4-propoxyphenyl)propanamide (PubChem CID 130460979) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(3-methyl-4-propoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-methyl-4-propoxyphenyl)propanamide
PubChem CID130460979
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(3-methyl-4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(NC(=O)CC)cc1C
InChIInChI=1S/C13H19NO2/c1-4-8-16-12-7-6-11(9-10(12)3)14-13(15)5-2/h6-7,9H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyPBMPEYVBEMLVSO-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-(3-methyl-4-propoxyphenyl)cyclopropane-1-carboxamide
CID 117059920
N-(3-methyl-4-propoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658553
N-[3-methyl-4-[2-methyl-4-(propanoylamino)phenyl]phenyl]propanamide
CID 4316551
(2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide
CID 100723719
[4-(propanoylamino)phenyl] 5-bromo-2-propoxybenzoate
CID 17087303
1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea
CID 47417327
N-[2-(3,4-dipropoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 35617607
4-amino-N-(3,4-dipropoxyphenyl)pentanamide
CID 120558926
N-(3-methyl-4-propoxyphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 100659685
sodium;2-(4-chloro-2-methylphenoxy)acetate;N-(3,4-dichlorophenyl)propanamide
CID 165360337
2-(4-bromo-2-methylphenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096701
N-(3-chloro-4-propoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79281917

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-propoxyphenyl)propanamide?
The IUPAC name of N-(3-methyl-4-propoxyphenyl)propanamide (CID 130460979) is N-(3-methyl-4-propoxyphenyl)propanamide.
What is the SMILES notation for N-(3-methyl-4-propoxyphenyl)propanamide?
The canonical SMILES for N-(3-methyl-4-propoxyphenyl)propanamide is CCCOc1ccc(NC(=O)CC)cc1C.
What is the InChIKey of N-(3-methyl-4-propoxyphenyl)propanamide?
The InChIKey is PBMPEYVBEMLVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-8-16-12-7-6-11(9-10(12)3)14-13(15)5-2/h6-7,9H,4-5,8H2,1-3H3,(H,14,15).
What are the key properties of N-(3-methyl-4-propoxyphenyl)propanamide?
N-(3-methyl-4-propoxyphenyl)propanamide has a molecular weight of 221.30 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-propoxyphenyl)propanamide is sourced from PubChem (CID 130460979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).