2-(2-methoxyphenyl)-N'-phenyloctanediamide

C21H26N2O3 — CID 66892971

IUPAC2-(2-methoxyphenyl)-N'-phenyloctanediamide
SMILESCOc1ccccc1C(CCCCCC(=O)Nc1ccccc1)C(N)=O
InChIInChI=1S/C21H26N2O3/c1-26-19-14-9-8-12-17(19)18(21(22)25)13-6-3-7-15-20(24)23-16-10-4-2-5-11-16/h2,4-5,8-12,14,18H,3,6-7,13,15H2,1H3,(H2,22,25)(H,23,24)
InChIKeyCEHPGLBTZAPXFY-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.85
Rot. Bonds10

About 2-(2-methoxyphenyl)-N'-phenyloctanediamide

2-(2-methoxyphenyl)-N'-phenyloctanediamide (PubChem CID 66892971) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N'-phenyloctanediamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N'-phenyloctanediamide
PubChem CID66892971
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-(2-methoxyphenyl)-N'-phenyloctanediamide
SMILESCOc1ccccc1C(CCCCCC(=O)Nc1ccccc1)C(N)=O
InChIInChI=1S/C21H26N2O3/c1-26-19-14-9-8-12-17(19)18(21(22)25)13-6-3-7-15-20(24)23-16-10-4-2-5-11-16/h2,4-5,8-12,14,18H,3,6-7,13,15H2,1H3,(H2,22,25)(H,23,24)
InChIKeyCEHPGLBTZAPXFY-UHFFFAOYSA-N
XLogP3.85
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-amino-8-anilino-8-oxooctanoate
CID 140522096
7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride
CID 119697280
2-(2,3-dimethoxyphenyl)octanamide
CID 139684199
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
(6-anilino-6-oxohexyl) acetate
CID 154158064
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
2-(2-amino-4-fluorophenyl)-N'-(4-methylphenyl)heptanediamide
CID 68559534
11-anilino-11-oxoundecanoic acid
CID 150341840
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
N-(4-anilinophenyl)-3-(2-methoxyphenoxy)propanamide
CID 60520385
8-(2-methylhydrazinyl)-8-oxo-2-phenyloctanamide
CID 175390039

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N'-phenyloctanediamide?
The IUPAC name of 2-(2-methoxyphenyl)-N'-phenyloctanediamide (CID 66892971) is 2-(2-methoxyphenyl)-N'-phenyloctanediamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N'-phenyloctanediamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N'-phenyloctanediamide is COc1ccccc1C(CCCCCC(=O)Nc1ccccc1)C(N)=O.
What is the InChIKey of 2-(2-methoxyphenyl)-N'-phenyloctanediamide?
The InChIKey is CEHPGLBTZAPXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-26-19-14-9-8-12-17(19)18(21(22)25)13-6-3-7-15-20(24)23-16-10-4-2-5-11-16/h2,4-5,8-12,14,18H,3,6-7,13,15H2,1H3,(H2,22,25)(H,23,24).
What are the key properties of 2-(2-methoxyphenyl)-N'-phenyloctanediamide?
2-(2-methoxyphenyl)-N'-phenyloctanediamide has a molecular weight of 354.45 g/mol, XLogP of 3.85, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N'-phenyloctanediamide is sourced from PubChem (CID 66892971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).