N-[1-(4-propan-2-yloxyphenyl)non-3-en-2-yl]butanamide

C22H35NO2 — CID 74007158

IUPACN-[1-(4-propan-2-yloxyphenyl)non-3-en-2-yl]butanamide
SMILESCCCCCC=CC(Cc1ccc(OC(C)C)cc1)NC(=O)CCC
InChIInChI=1S/C22H35NO2/c1-5-7-8-9-10-12-20(23-22(24)11-6-2)17-19-13-15-21(16-14-19)25-18(3)4/h10,12-16,18,20H,5-9,11,17H2,1-4H3,(H,23,24)
InChIKeyGECBJESXGICUFL-UHFFFAOYSA-N
MW345.53 g/mol
LogP5.44
Rot. Bonds12

About N-[1-(4-propan-2-yloxyphenyl)non-3-en-2-yl]butanamide

N-[1-(4-propan-2-yloxyphenyl)non-3-en-2-yl]butanamide (PubChem CID 74007158) has the molecular formula C22H35NO2 and a molecular weight of 345.53 g/mol. Its IUPAC name is N-[1-(4-propan-2-yloxyphenyl)non-3-en-2-yl]butanamide.

Molecular Properties

Compound NameN-[1-(4-propan-2-yloxyphenyl)non-3-en-2-yl]butanamide
PubChem CID74007158
Molecular FormulaC22H35NO2
Molecular Weight345.53 g/mol
Exact Mass345.27
IUPAC NameN-[1-(4-propan-2-yloxyphenyl)non-3-en-2-yl]butanamide
SMILESCCCCCC=CC(Cc1ccc(OC(C)C)cc1)NC(=O)CCC
InChIInChI=1S/C22H35NO2/c1-5-7-8-9-10-12-20(23-22(24)11-6-2)17-19-13-15-21(16-14-19)25-18(3)4/h10,12-16,18,20H,5-9,11,17H2,1-4H3,(H,23,24)
InChIKeyGECBJESXGICUFL-UHFFFAOYSA-N
XLogP5.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-propan-2-yloxyphenyl)methyl]tetradecanamide
CID 54792167
tert-butyl N-[(Z)-1-(4-hydroxyphenyl)non-3-en-2-yl]carbamate
CID 147005725
N-[(pentanoylamino)-(4-propan-2-yloxyphenyl)methyl]pentanamide
CID 18839396
2-(butylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54815317
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135
2-amino-N-pentyl-3-(4-propan-2-yloxyphenyl)propanamide
CID 22951626
N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide
CID 170371171
N-[3-[4-(1,3-dihydroperoxypropan-2-yloxy)phenyl]-1-oxo-1-(pentylamino)propan-2-yl]butanamide
CID 22951749
N-[(2R)-4-diethoxyphosphoryl-1-(4-hydroxyphenyl)but-3-en-2-yl]dodecanamide
CID 91129667
(2S)-3-(4-hydroxyphenyl)-2-(icosa-11,14-dienoylamino)propanoic acid
CID 6709846
N-[(2S)-1-oxo-3-phenylpropan-2-yl]tridecanamide
CID 54078231
N-[(2S)-1-oxo-3-phenylpropan-2-yl]dodecanamide
CID 54543397

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-yloxyphenyl)non-3-en-2-yl]butanamide?
The IUPAC name of N-[1-(4-propan-2-yloxyphenyl)non-3-en-2-yl]butanamide (CID 74007158) is N-[1-(4-propan-2-yloxyphenyl)non-3-en-2-yl]butanamide.
What is the SMILES notation for N-[1-(4-propan-2-yloxyphenyl)non-3-en-2-yl]butanamide?
The canonical SMILES for N-[1-(4-propan-2-yloxyphenyl)non-3-en-2-yl]butanamide is CCCCCC=CC(Cc1ccc(OC(C)C)cc1)NC(=O)CCC.
What is the InChIKey of N-[1-(4-propan-2-yloxyphenyl)non-3-en-2-yl]butanamide?
The InChIKey is GECBJESXGICUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO2/c1-5-7-8-9-10-12-20(23-22(24)11-6-2)17-19-13-15-21(16-14-19)25-18(3)4/h10,12-16,18,20H,5-9,11,17H2,1-4H3,(H,23,24).
What are the key properties of N-[1-(4-propan-2-yloxyphenyl)non-3-en-2-yl]butanamide?
N-[1-(4-propan-2-yloxyphenyl)non-3-en-2-yl]butanamide has a molecular weight of 345.53 g/mol, XLogP of 5.44, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-yloxyphenyl)non-3-en-2-yl]butanamide is sourced from PubChem (CID 74007158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).