N'-[1-(3-methoxyphenyl)propan-2-yl]-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]oxamide

C26H34N2O4 — CID 86943907

IUPACN'-[1-(3-methoxyphenyl)propan-2-yl]-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]oxamide
SMILESCOc1cccc(CC(C)NC(=O)C(=O)Nc2cccc(COC3CCCC(C)C3)c2)c1
InChIInChI=1S/C26H34N2O4/c1-18-7-4-12-24(13-18)32-17-21-9-5-10-22(15-21)28-26(30)25(29)27-19(2)14-20-8-6-11-23(16-20)31-3/h5-6,8-11,15-16,18-19,24H,4,7,12-14,17H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyDEXIBIZKLCPVOI-UHFFFAOYSA-N
MW438.57 g/mol
LogP4.48
Rot. Bonds8

About N'-[1-(3-methoxyphenyl)propan-2-yl]-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]oxamide

N'-[1-(3-methoxyphenyl)propan-2-yl]-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]oxamide (PubChem CID 86943907) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is N'-[1-(3-methoxyphenyl)propan-2-yl]-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]oxamide.

Molecular Properties

Compound NameN'-[1-(3-methoxyphenyl)propan-2-yl]-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]oxamide
PubChem CID86943907
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC NameN'-[1-(3-methoxyphenyl)propan-2-yl]-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]oxamide
SMILESCOc1cccc(CC(C)NC(=O)C(=O)Nc2cccc(COC3CCCC(C)C3)c2)c1
InChIInChI=1S/C26H34N2O4/c1-18-7-4-12-24(13-18)32-17-21-9-5-10-22(15-21)28-26(30)25(29)27-19(2)14-20-8-6-11-23(16-20)31-3/h5-6,8-11,15-16,18-19,24H,4,7,12-14,17H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyDEXIBIZKLCPVOI-UHFFFAOYSA-N
XLogP4.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.48
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-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-N'-(1-pyridin-4-ylethyl)oxamide
CID 86864516
2-hydroxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 75437260
methyl N-[4-methyl-1-[3-[(3-methylcyclohexyl)oxymethyl]anilino]-1-oxopentan-2-yl]carbamate
CID 60599927
N-(2,5-dimethoxyphenyl)-2-[3-[(3-methylcyclohexyl)oxymethyl]anilino]propanamide
CID 60600445
4-amino-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]pentanamide;hydrochloride
CID 120561478
4-amino-3-methoxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]butanamide
CID 120590544
2-(cyclopropylmethylamino)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 119754463
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]azepane-1-carboxamide
CID 71883147
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
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 71936006
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 71935987

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-methoxyphenyl)propan-2-yl]-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]oxamide?
The IUPAC name of N'-[1-(3-methoxyphenyl)propan-2-yl]-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]oxamide (CID 86943907) is N'-[1-(3-methoxyphenyl)propan-2-yl]-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]oxamide.
What is the SMILES notation for N'-[1-(3-methoxyphenyl)propan-2-yl]-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]oxamide?
The canonical SMILES for N'-[1-(3-methoxyphenyl)propan-2-yl]-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]oxamide is COc1cccc(CC(C)NC(=O)C(=O)Nc2cccc(COC3CCCC(C)C3)c2)c1.
What is the InChIKey of N'-[1-(3-methoxyphenyl)propan-2-yl]-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]oxamide?
The InChIKey is DEXIBIZKLCPVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-18-7-4-12-24(13-18)32-17-21-9-5-10-22(15-21)28-26(30)25(29)27-19(2)14-20-8-6-11-23(16-20)31-3/h5-6,8-11,15-16,18-19,24H,4,7,12-14,17H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of N'-[1-(3-methoxyphenyl)propan-2-yl]-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]oxamide?
N'-[1-(3-methoxyphenyl)propan-2-yl]-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]oxamide has a molecular weight of 438.57 g/mol, XLogP of 4.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-methoxyphenyl)propan-2-yl]-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]oxamide is sourced from PubChem (CID 86943907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).