N-(2-butoxy-3-propylphenyl)-3,3-dimethylbutanamide

C19H31NO2 — CID 18735697

IUPACN-(2-butoxy-3-propylphenyl)-3,3-dimethylbutanamide
SMILESCCCCOc1c(CCC)cccc1NC(=O)CC(C)(C)C
InChIInChI=1S/C19H31NO2/c1-6-8-13-22-18-15(10-7-2)11-9-12-16(18)20-17(21)14-19(3,4)5/h9,11-12H,6-8,10,13-14H2,1-5H3,(H,20,21)
InChIKeyPWFGGLSRCJKONW-UHFFFAOYSA-N
MW305.46 g/mol
LogP5.19
Rot. Bonds8

About N-(2-butoxy-3-propylphenyl)-3,3-dimethylbutanamide

N-(2-butoxy-3-propylphenyl)-3,3-dimethylbutanamide (PubChem CID 18735697) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is N-(2-butoxy-3-propylphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-butoxy-3-propylphenyl)-3,3-dimethylbutanamide
PubChem CID18735697
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC NameN-(2-butoxy-3-propylphenyl)-3,3-dimethylbutanamide
SMILESCCCCOc1c(CCC)cccc1NC(=O)CC(C)(C)C
InChIInChI=1S/C19H31NO2/c1-6-8-13-22-18-15(10-7-2)11-9-12-16(18)20-17(21)14-19(3,4)5/h9,11-12H,6-8,10,13-14H2,1-5H3,(H,20,21)
InChIKeyPWFGGLSRCJKONW-UHFFFAOYSA-N
XLogP5.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.46
LogP ≤ 55.19
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

N-(2-butoxy-3-propylphenyl)propanamide
CID 142121907
N-(3-ethyl-2-pentoxyphenyl)butanamide
CID 71107194
N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 60653327
3,3-dimethyl-5-oxo-5-(2-propylanilino)pentanoic acid
CID 62935245
3,3-dimethyl-N-quinolin-5-ylbutanamide
CID 24654624
N-isoquinolin-5-yl-3,3-dimethylbutanamide
CID 29371824
2-butoxy-3-butylbenzoic acid
CID 22223226
2-(butoxycarbonylamino)-6-propylbenzoic acid
CID 19845692
N-(2-butyl-3-ethylphenyl)butanamide
CID 71106739
N-(2-butoxyphenyl)propanamide
CID 15943029
(2-butoxy-3-butylphenyl)methyl hydrogen carbonate
CID 67299359
3,3,3-trifluoro-N-[3-(hydroxymethyl)-2-methoxyphenyl]propanamide
CID 71056739

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxy-3-propylphenyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(2-butoxy-3-propylphenyl)-3,3-dimethylbutanamide (CID 18735697) is N-(2-butoxy-3-propylphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(2-butoxy-3-propylphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(2-butoxy-3-propylphenyl)-3,3-dimethylbutanamide is CCCCOc1c(CCC)cccc1NC(=O)CC(C)(C)C.
What is the InChIKey of N-(2-butoxy-3-propylphenyl)-3,3-dimethylbutanamide?
The InChIKey is PWFGGLSRCJKONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-6-8-13-22-18-15(10-7-2)11-9-12-16(18)20-17(21)14-19(3,4)5/h9,11-12H,6-8,10,13-14H2,1-5H3,(H,20,21).
What are the key properties of N-(2-butoxy-3-propylphenyl)-3,3-dimethylbutanamide?
N-(2-butoxy-3-propylphenyl)-3,3-dimethylbutanamide has a molecular weight of 305.46 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxy-3-propylphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 18735697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).