N-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide

C23H27NO3 — CID 26320335

IUPACN-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide
SMILESCc1ccc(C(=O)N(Cc2cccc(OC[C@@H]3CCCO3)c2)C2CC2)cc1
InChIInChI=1S/C23H27NO3/c1-17-7-9-19(10-8-17)23(25)24(20-11-12-20)15-18-4-2-5-21(14-18)27-16-22-6-3-13-26-22/h2,4-5,7-10,14,20,22H,3,6,11-13,15-16H2,1H3/t22-/m0/s1
InChIKeyQYVGUYNOYRHYMN-QFIPXVFZSA-N
MW365.47 g/mol
LogP4.36
Rot. Bonds7

About N-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide

N-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide (PubChem CID 26320335) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide
PubChem CID26320335
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC NameN-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide
SMILESCc1ccc(C(=O)N(Cc2cccc(OC[C@@H]3CCCO3)c2)C2CC2)cc1
InChIInChI=1S/C23H27NO3/c1-17-7-9-19(10-8-17)23(25)24(20-11-12-20)15-18-4-2-5-21(14-18)27-16-22-6-3-13-26-22/h2,4-5,7-10,14,20,22H,3,6,11-13,15-16H2,1H3/t22-/m0/s1
InChIKeyQYVGUYNOYRHYMN-QFIPXVFZSA-N
XLogP4.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide
CID 45184209
N-cyclopropyl-4-methyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]benzamide
CID 45201934
2-cyclopentyl-N-cyclopropyl-N-[[3-[[(2S)-oxan-2-yl]methoxy]phenyl]methyl]acetamide
CID 26336282
[3-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43199011
N-cyclopentyl-N-(furan-2-ylmethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 112817367
N-cyclopropyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]-4-phenylbenzamide
CID 45175801
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
N-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine
CID 54804154
N-[(3-methoxyphenyl)methyl]-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 75387976
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-(oxolan-2-ylmethoxy)benzamide
CID 43044789
N-[[4-(dimethylamino)phenyl]methyl]-3-(oxolan-2-ylmethoxy)-N-(oxolan-2-ylmethyl)benzamide
CID 78840852
1-tert-butyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 51122526

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide (CID 26320335) is N-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide is Cc1ccc(C(=O)N(Cc2cccc(OC[C@@H]3CCCO3)c2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide?
The InChIKey is QYVGUYNOYRHYMN-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H27NO3/c1-17-7-9-19(10-8-17)23(25)24(20-11-12-20)15-18-4-2-5-21(14-18)27-16-22-6-3-13-26-22/h2,4-5,7-10,14,20,22H,3,6,11-13,15-16H2,1H3/t22-/m0/s1.
What are the key properties of N-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide?
N-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide has a molecular weight of 365.47 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide is sourced from PubChem (CID 26320335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).