N-cyclopropyl-N-methyl-2-(2-octan-3-yloxyphenyl)butanamide

C22H35NO2 — CID 67552988

IUPACN-cyclopropyl-N-methyl-2-(2-octan-3-yloxyphenyl)butanamide
SMILESCCCCCC(CC)Oc1ccccc1C(CC)C(=O)N(C)C1CC1
InChIInChI=1S/C22H35NO2/c1-5-8-9-12-18(6-2)25-21-14-11-10-13-20(21)19(7-3)22(24)23(4)17-15-16-17/h10-11,13-14,17-19H,5-9,12,15-16H2,1-4H3
InChIKeyPLJRBVSPJLNADX-UHFFFAOYSA-N
MW345.53 g/mol
LogP5.54
Rot. Bonds11

About N-cyclopropyl-N-methyl-2-(2-octan-3-yloxyphenyl)butanamide

N-cyclopropyl-N-methyl-2-(2-octan-3-yloxyphenyl)butanamide (PubChem CID 67552988) has the molecular formula C22H35NO2 and a molecular weight of 345.53 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-2-(2-octan-3-yloxyphenyl)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-2-(2-octan-3-yloxyphenyl)butanamide
PubChem CID67552988
Molecular FormulaC22H35NO2
Molecular Weight345.53 g/mol
Exact Mass345.27
IUPAC NameN-cyclopropyl-N-methyl-2-(2-octan-3-yloxyphenyl)butanamide
SMILESCCCCCC(CC)Oc1ccccc1C(CC)C(=O)N(C)C1CC1
InChIInChI=1S/C22H35NO2/c1-5-8-9-12-18(6-2)25-21-14-11-10-13-20(21)19(7-3)22(24)23(4)17-15-16-17/h10-11,13-14,17-19H,5-9,12,15-16H2,1-4H3
InChIKeyPLJRBVSPJLNADX-UHFFFAOYSA-N
XLogP5.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 55.54
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-2-(2-dodecoxyphenyl)-N-methylbutanamide
CID 22375575
1,2-di(octan-3-yloxy)benzene
CID 168861859
(E)-3-(2-octadecan-3-yloxyphenyl)prop-2-enoic acid
CID 67842943
N-[[(1R,2R)-2-(2-dodecan-3-yloxyphenyl)cyclopropyl]methyl]butanamide
CID 70274375
2-(2-ethoxyphenyl)octanoic acid
CID 174447209
2-tetradecan-5-yloxybenzoic acid
CID 54162173
dinonan-3-yl benzene-1,2-dicarboxylate
CID 66874656
octan-3-yl benzoate
CID 12820016
2-[2-(1-hydroxypropyl)phenoxy]pentanoic acid
CID 83041368
1-heptan-3-yloxy-2-(nitrosomethyl)benzene
CID 54200294
3-(2-fluorophenoxy)nonanoic acid
CID 141243279
1-cyclopropyl-2-[2-(2-fluorophenoxy)butyl]-1-methylguanidine;hydroiodide
CID 110031022

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-2-(2-octan-3-yloxyphenyl)butanamide?
The IUPAC name of N-cyclopropyl-N-methyl-2-(2-octan-3-yloxyphenyl)butanamide (CID 67552988) is N-cyclopropyl-N-methyl-2-(2-octan-3-yloxyphenyl)butanamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-2-(2-octan-3-yloxyphenyl)butanamide?
The canonical SMILES for N-cyclopropyl-N-methyl-2-(2-octan-3-yloxyphenyl)butanamide is CCCCCC(CC)Oc1ccccc1C(CC)C(=O)N(C)C1CC1.
What is the InChIKey of N-cyclopropyl-N-methyl-2-(2-octan-3-yloxyphenyl)butanamide?
The InChIKey is PLJRBVSPJLNADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO2/c1-5-8-9-12-18(6-2)25-21-14-11-10-13-20(21)19(7-3)22(24)23(4)17-15-16-17/h10-11,13-14,17-19H,5-9,12,15-16H2,1-4H3.
What are the key properties of N-cyclopropyl-N-methyl-2-(2-octan-3-yloxyphenyl)butanamide?
N-cyclopropyl-N-methyl-2-(2-octan-3-yloxyphenyl)butanamide has a molecular weight of 345.53 g/mol, XLogP of 5.54, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-2-(2-octan-3-yloxyphenyl)butanamide is sourced from PubChem (CID 67552988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).