N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide

C26H30N2O3 — CID 112819893

IUPACN-(furan-2-ylmethyl)-3-[(3-methylphenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCc1cccc(COc2cccc(C(=O)N(Cc3ccco3)C3CCN(C)CC3)c2)c1
InChIInChI=1S/C26H30N2O3/c1-20-6-3-7-21(16-20)19-31-24-9-4-8-22(17-24)26(29)28(18-25-10-5-15-30-25)23-11-13-27(2)14-12-23/h3-10,15-17,23H,11-14,18-19H2,1-2H3
InChIKeyLRIXZWMTWRBIRL-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.90
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide

N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 112819893) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[(3-methylphenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID112819893
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC NameN-(furan-2-ylmethyl)-3-[(3-methylphenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCc1cccc(COc2cccc(C(=O)N(Cc3ccco3)C3CCN(C)CC3)c2)c1
InChIInChI=1S/C26H30N2O3/c1-20-6-3-7-21(16-20)19-31-24-9-4-8-22(17-24)26(29)28(18-25-10-5-15-30-25)23-11-13-27(2)14-12-23/h3-10,15-17,23H,11-14,18-19H2,1-2H3
InChIKeyLRIXZWMTWRBIRL-UHFFFAOYSA-N
XLogP4.90
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(furan-2-ylmethyl)-3-methylbenzamide
CID 47022969
3-[(3-methylphenyl)methoxy]-N-piperidin-4-yl-N-propylbenzamide
CID 119825677
N-cyclopentyl-N-(furan-2-ylmethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 112817367
N-(furan-2-ylmethyl)-4-methoxy-N-(1-methylpiperidin-4-yl)-3-phenylbenzamide
CID 86873695
4-(dimethylamino)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 86804672
2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 30825293
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
N-benzyl-N-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 46540368
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-3-methylbenzamide
CID 5013111
1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]ethanone
CID 34840464
N-benzyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide
CID 37429508
[4-(cyclopropylmethyl)piperazin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone
CID 55890801

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide (CID 112819893) is N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide is Cc1cccc(COc2cccc(C(=O)N(Cc3ccco3)C3CCN(C)CC3)c2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is LRIXZWMTWRBIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-20-6-3-7-21(16-20)19-31-24-9-4-8-22(17-24)26(29)28(18-25-10-5-15-30-25)23-11-13-27(2)14-12-23/h3-10,15-17,23H,11-14,18-19H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide?
N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 418.54 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 112819893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).