N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]oxolane-2-carboxamide

C22H31NO4 — CID 45220553

IUPACN-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]oxolane-2-carboxamide
SMILESCC1(COc2cccc(CN(C(=O)C3CCCO3)C3CCCC3)c2)COC1
InChIInChI=1S/C22H31NO4/c1-22(14-25-15-22)16-27-19-9-4-6-17(12-19)13-23(18-7-2-3-8-18)21(24)20-10-5-11-26-20/h4,6,9,12,18,20H,2-3,5,7-8,10-11,13-16H2,1H3
InChIKeyCAVUGBAXVVAPCT-UHFFFAOYSA-N
MW373.49 g/mol
LogP3.55
Rot. Bonds7

About N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]oxolane-2-carboxamide

N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]oxolane-2-carboxamide (PubChem CID 45220553) has the molecular formula C22H31NO4 and a molecular weight of 373.49 g/mol. Its IUPAC name is N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]oxolane-2-carboxamide
PubChem CID45220553
Molecular FormulaC22H31NO4
Molecular Weight373.49 g/mol
Exact Mass373.23
IUPAC NameN-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]oxolane-2-carboxamide
SMILESCC1(COc2cccc(CN(C(=O)C3CCCO3)C3CCCC3)c2)COC1
InChIInChI=1S/C22H31NO4/c1-22(14-25-15-22)16-27-19-9-4-6-17(12-19)13-23(18-7-2-3-8-18)21(24)20-10-5-11-26-20/h4,6,9,12,18,20H,2-3,5,7-8,10-11,13-16H2,1H3
InChIKeyCAVUGBAXVVAPCT-UHFFFAOYSA-N
XLogP3.55
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]oxolane-2-carboxamide with MolForge

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Related Compounds

(E)-3-(2-chlorophenyl)-N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide
CID 42406532
N-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide
CID 26320335
N-cyclopropyl-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclohexanecarboxamide
CID 42378699
3-amino-1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one
CID 117376257
N-cyclopropyl-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide
CID 45227451
2-cyclopentyl-N-cyclopropyl-N-[[3-[[(2S)-oxan-2-yl]methoxy]phenyl]methyl]acetamide
CID 26336282
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)oxolane-2-carboxamide
CID 45169703
(2R)-N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]oxolane-2-carboxamide
CID 99859409
N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 26397160
N-cyclopropyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide
CID 45184209
N-cyclopentyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide
CID 3725789
3-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid
CID 117467164

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]oxolane-2-carboxamide (CID 45220553) is N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]oxolane-2-carboxamide is CC1(COc2cccc(CN(C(=O)C3CCCO3)C3CCCC3)c2)COC1.
What is the InChIKey of N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]oxolane-2-carboxamide?
The InChIKey is CAVUGBAXVVAPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO4/c1-22(14-25-15-22)16-27-19-9-4-6-17(12-19)13-23(18-7-2-3-8-18)21(24)20-10-5-11-26-20/h4,6,9,12,18,20H,2-3,5,7-8,10-11,13-16H2,1H3.
What are the key properties of N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]oxolane-2-carboxamide?
N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]oxolane-2-carboxamide has a molecular weight of 373.49 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 45220553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).