N-cyclopropyl-2-(2-dodecoxyphenyl)-N-methylbutanamide

C26H43NO2 — CID 22375575

IUPACN-cyclopropyl-2-(2-dodecoxyphenyl)-N-methylbutanamide
SMILESCCCCCCCCCCCCOc1ccccc1C(CC)C(=O)N(C)C1CC1
InChIInChI=1S/C26H43NO2/c1-4-6-7-8-9-10-11-12-13-16-21-29-25-18-15-14-17-24(25)23(5-2)26(28)27(3)22-19-20-22/h14-15,17-18,22-23H,4-13,16,19-21H2,1-3H3
InChIKeyXCRKFRAUMVZRLB-UHFFFAOYSA-N
MW401.64 g/mol
LogP7.10
Rot. Bonds16

About N-cyclopropyl-2-(2-dodecoxyphenyl)-N-methylbutanamide

N-cyclopropyl-2-(2-dodecoxyphenyl)-N-methylbutanamide (PubChem CID 22375575) has the molecular formula C26H43NO2 and a molecular weight of 401.64 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-dodecoxyphenyl)-N-methylbutanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-dodecoxyphenyl)-N-methylbutanamide
PubChem CID22375575
Molecular FormulaC26H43NO2
Molecular Weight401.64 g/mol
Exact Mass401.33
IUPAC NameN-cyclopropyl-2-(2-dodecoxyphenyl)-N-methylbutanamide
SMILESCCCCCCCCCCCCOc1ccccc1C(CC)C(=O)N(C)C1CC1
InChIInChI=1S/C26H43NO2/c1-4-6-7-8-9-10-11-12-13-16-21-29-25-18-15-14-17-24(25)23(5-2)26(28)27(3)22-19-20-22/h14-15,17-18,22-23H,4-13,16,19-21H2,1-3H3
InChIKeyXCRKFRAUMVZRLB-UHFFFAOYSA-N
XLogP7.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.64
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-methyl-2-(2-octan-3-yloxyphenyl)butanamide
CID 67552988
(1S)-1-(2-hexoxyphenyl)propan-1-ol
CID 78930140
1-(2-heptoxyphenyl)propan-1-ol
CID 43503487
(1S)-1-(2-heptoxyphenyl)propan-1-ol
CID 78944609
(1S)-1-(2-octoxyphenyl)ethanol
CID 55223229
(1R)-1-(2-nonoxyphenyl)ethanol
CID 78944592
1-chloro-1-(2-hexoxyphenyl)butan-2-one
CID 82160760
1-octoxy-2-propan-2-ylbenzene
CID 64765685
N-cyclopropyl-N-[(2-hexoxyphenyl)-hydroxymethyl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 145060609
1-(2-decoxyphenyl)propan-1-amine
CID 63501298
1-(2-nonoxyphenyl)propan-1-amine
CID 43129040
(1R)-1-(2-decoxyphenyl)propan-1-amine
CID 63485887

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-dodecoxyphenyl)-N-methylbutanamide?
The IUPAC name of N-cyclopropyl-2-(2-dodecoxyphenyl)-N-methylbutanamide (CID 22375575) is N-cyclopropyl-2-(2-dodecoxyphenyl)-N-methylbutanamide.
What is the SMILES notation for N-cyclopropyl-2-(2-dodecoxyphenyl)-N-methylbutanamide?
The canonical SMILES for N-cyclopropyl-2-(2-dodecoxyphenyl)-N-methylbutanamide is CCCCCCCCCCCCOc1ccccc1C(CC)C(=O)N(C)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(2-dodecoxyphenyl)-N-methylbutanamide?
The InChIKey is XCRKFRAUMVZRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43NO2/c1-4-6-7-8-9-10-11-12-13-16-21-29-25-18-15-14-17-24(25)23(5-2)26(28)27(3)22-19-20-22/h14-15,17-18,22-23H,4-13,16,19-21H2,1-3H3.
What are the key properties of N-cyclopropyl-2-(2-dodecoxyphenyl)-N-methylbutanamide?
N-cyclopropyl-2-(2-dodecoxyphenyl)-N-methylbutanamide has a molecular weight of 401.64 g/mol, XLogP of 7.10, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-dodecoxyphenyl)-N-methylbutanamide is sourced from PubChem (CID 22375575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).