N-cyclopropyl-3-[(3-methylphenyl)methoxy]-N-(1-pyridin-2-ylethyl)benzamide

C25H26N2O2 — CID 55921071

IUPACN-cyclopropyl-3-[(3-methylphenyl)methoxy]-N-(1-pyridin-2-ylethyl)benzamide
SMILESCc1cccc(COc2cccc(C(=O)N(C3CC3)C(C)c3ccccn3)c2)c1
InChIInChI=1S/C25H26N2O2/c1-18-7-5-8-20(15-18)17-29-23-10-6-9-21(16-23)25(28)27(22-12-13-22)19(2)24-11-3-4-14-26-24/h3-11,14-16,19,22H,12-13,17H2,1-2H3
InChIKeyOXKKKBQPGYXJMI-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.33
Rot. Bonds7

About N-cyclopropyl-3-[(3-methylphenyl)methoxy]-N-(1-pyridin-2-ylethyl)benzamide

N-cyclopropyl-3-[(3-methylphenyl)methoxy]-N-(1-pyridin-2-ylethyl)benzamide (PubChem CID 55921071) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-cyclopropyl-3-[(3-methylphenyl)methoxy]-N-(1-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(3-methylphenyl)methoxy]-N-(1-pyridin-2-ylethyl)benzamide
PubChem CID55921071
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC NameN-cyclopropyl-3-[(3-methylphenyl)methoxy]-N-(1-pyridin-2-ylethyl)benzamide
SMILESCc1cccc(COc2cccc(C(=O)N(C3CC3)C(C)c3ccccn3)c2)c1
InChIInChI=1S/C25H26N2O2/c1-18-7-5-8-20(15-18)17-29-23-10-6-9-21(16-23)25(28)27(22-12-13-22)19(2)24-11-3-4-14-26-24/h3-11,14-16,19,22H,12-13,17H2,1-2H3
InChIKeyOXKKKBQPGYXJMI-UHFFFAOYSA-N
XLogP5.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methylphenyl)methoxy]-N-piperidin-4-yl-N-propylbenzamide
CID 119825677
1-methyl-3-[[3-(phenoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea
CID 86861427
N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(1-pyridin-2-ylethyl)benzamide
CID 71866938
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-cyclopropyl-N-(1-pyridin-2-ylethyl)prop-2-enamide
CID 55812236
1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]ethanone
CID 34840464
(3-aminopyrrolidin-1-yl)-[3-[(3-methylphenyl)methoxy]phenyl]methanone
CID 146081197
[4-(cyclopropylmethyl)piperazin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone
CID 55890801
N-cyclopropyl-N-(1-pyridin-2-ylethyl)-4-(tetrazol-1-yl)benzamide
CID 51093102
N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide
CID 112819893
N'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide
CID 35153545
(4-methoxyphenyl)-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 46666074
N-benzyl-N-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 46540368

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(3-methylphenyl)methoxy]-N-(1-pyridin-2-ylethyl)benzamide?
The IUPAC name of N-cyclopropyl-3-[(3-methylphenyl)methoxy]-N-(1-pyridin-2-ylethyl)benzamide (CID 55921071) is N-cyclopropyl-3-[(3-methylphenyl)methoxy]-N-(1-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-3-[(3-methylphenyl)methoxy]-N-(1-pyridin-2-ylethyl)benzamide?
The canonical SMILES for N-cyclopropyl-3-[(3-methylphenyl)methoxy]-N-(1-pyridin-2-ylethyl)benzamide is Cc1cccc(COc2cccc(C(=O)N(C3CC3)C(C)c3ccccn3)c2)c1.
What is the InChIKey of N-cyclopropyl-3-[(3-methylphenyl)methoxy]-N-(1-pyridin-2-ylethyl)benzamide?
The InChIKey is OXKKKBQPGYXJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-18-7-5-8-20(15-18)17-29-23-10-6-9-21(16-23)25(28)27(22-12-13-22)19(2)24-11-3-4-14-26-24/h3-11,14-16,19,22H,12-13,17H2,1-2H3.
What are the key properties of N-cyclopropyl-3-[(3-methylphenyl)methoxy]-N-(1-pyridin-2-ylethyl)benzamide?
N-cyclopropyl-3-[(3-methylphenyl)methoxy]-N-(1-pyridin-2-ylethyl)benzamide has a molecular weight of 386.50 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(3-methylphenyl)methoxy]-N-(1-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 55921071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).