N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-N'-(1-pyridin-4-ylethyl)oxamide

C23H29N3O3 — CID 86864516

IUPACN-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-N'-(1-pyridin-4-ylethyl)oxamide
SMILESCC1CCCC(OCc2cccc(NC(=O)C(=O)NC(C)c3ccncc3)c2)C1
InChIInChI=1S/C23H29N3O3/c1-16-5-3-8-21(13-16)29-15-18-6-4-7-20(14-18)26-23(28)22(27)25-17(2)19-9-11-24-12-10-19/h4,6-7,9-12,14,16-17,21H,3,5,8,13,15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyBNUCEMOVVSEVGY-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.99
Rot. Bonds6

About N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-N'-(1-pyridin-4-ylethyl)oxamide

N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-N'-(1-pyridin-4-ylethyl)oxamide (PubChem CID 86864516) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-N'-(1-pyridin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-N'-(1-pyridin-4-ylethyl)oxamide
PubChem CID86864516
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-N'-(1-pyridin-4-ylethyl)oxamide
SMILESCC1CCCC(OCc2cccc(NC(=O)C(=O)NC(C)c3ccncc3)c2)C1
InChIInChI=1S/C23H29N3O3/c1-16-5-3-8-21(13-16)29-15-18-6-4-7-20(14-18)26-23(28)22(27)25-17(2)19-9-11-24-12-10-19/h4,6-7,9-12,14,16-17,21H,3,5,8,13,15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyBNUCEMOVVSEVGY-UHFFFAOYSA-N
XLogP3.99
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(3-methoxyphenyl)propan-2-yl]-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]oxamide
CID 86943907
2-hydroxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 75437260
4-amino-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]pentanamide;hydrochloride
CID 120561478
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 71936006
methyl N-[4-methyl-1-[3-[(3-methylcyclohexyl)oxymethyl]anilino]-1-oxopentan-2-yl]carbamate
CID 60599927
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]azepane-1-carboxamide
CID 71883147
2-(cyclopropylmethylamino)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 119754463
2-[(3S)-3-hydroxypiperidin-1-yl]-N-[3-[[(1R,3R)-3-methylcyclohexyl]oxymethyl]phenyl]-2-oxoacetamide
CID 95252065
2-tert-butylsulfanyl-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 60599967
4-amino-3-methoxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]butanamide
CID 120590544
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306626
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 71935987

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-N'-(1-pyridin-4-ylethyl)oxamide?
The IUPAC name of N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-N'-(1-pyridin-4-ylethyl)oxamide (CID 86864516) is N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-N'-(1-pyridin-4-ylethyl)oxamide.
What is the SMILES notation for N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-N'-(1-pyridin-4-ylethyl)oxamide?
The canonical SMILES for N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-N'-(1-pyridin-4-ylethyl)oxamide is CC1CCCC(OCc2cccc(NC(=O)C(=O)NC(C)c3ccncc3)c2)C1.
What is the InChIKey of N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-N'-(1-pyridin-4-ylethyl)oxamide?
The InChIKey is BNUCEMOVVSEVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16-5-3-8-21(13-16)29-15-18-6-4-7-20(14-18)26-23(28)22(27)25-17(2)19-9-11-24-12-10-19/h4,6-7,9-12,14,16-17,21H,3,5,8,13,15H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-N'-(1-pyridin-4-ylethyl)oxamide?
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-N'-(1-pyridin-4-ylethyl)oxamide has a molecular weight of 395.50 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-N'-(1-pyridin-4-ylethyl)oxamide is sourced from PubChem (CID 86864516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).