(2R)-N-cyclopropyl-N-[[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]methyl]oxolane-2-carboxamide

C23H28N2O4 — CID 42171769

IUPAC(2R)-N-cyclopropyl-N-[[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]methyl]oxolane-2-carboxamide
SMILESCOc1ccc(CN(C(=O)[C@H]2CCCO2)C2CC2)cc1OCCc1ccccn1
InChIInChI=1S/C23H28N2O4/c1-27-20-10-7-17(15-22(20)29-14-11-18-5-2-3-12-24-18)16-25(19-8-9-19)23(26)21-6-4-13-28-21/h2-3,5,7,10,12,15,19,21H,4,6,8-9,11,13-14,16H2,1H3/t21-/m1/s1
InChIKeyNKGSQPWQMJTSOE-OAQYLSRUSA-N
MW396.49 g/mol
LogP3.38
Rot. Bonds9

About (2R)-N-cyclopropyl-N-[[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]methyl]oxolane-2-carboxamide

(2R)-N-cyclopropyl-N-[[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]methyl]oxolane-2-carboxamide (PubChem CID 42171769) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-N-[[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-N-[[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]methyl]oxolane-2-carboxamide
PubChem CID42171769
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name(2R)-N-cyclopropyl-N-[[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]methyl]oxolane-2-carboxamide
SMILESCOc1ccc(CN(C(=O)[C@H]2CCCO2)C2CC2)cc1OCCc1ccccn1
InChIInChI=1S/C23H28N2O4/c1-27-20-10-7-17(15-22(20)29-14-11-18-5-2-3-12-24-18)16-25(19-8-9-19)23(26)21-6-4-13-28-21/h2-3,5,7,10,12,15,19,21H,4,6,8-9,11,13-14,16H2,1H3/t21-/m1/s1
InChIKeyNKGSQPWQMJTSOE-OAQYLSRUSA-N
XLogP3.38
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-N-cyclopropyl-N-[[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]methyl]oxolane-2-carboxamide with MolForge

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Related Compounds

N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]cyclobutanecarboxamide
CID 42278052
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyloxolane-2-carboxamide
CID 78808324
(2S)-N-(1-ethylpiperidin-4-yl)-N-(2-pyridin-2-ylethyl)oxane-2-carboxamide
CID 99926435
N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]-2-(trifluoromethyl)benzamide
CID 45189926
2,4-dimethoxy-N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]benzamide
CID 42484281
N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 45194158
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)oxolane-2-carboxamide
CID 45169703
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 42701819
(2S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyloxolane-2-carboxamide
CID 94182088
N-cyclopropyl-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide
CID 45227451
(2R)-N-cyclopropyl-N-[[4-(3-methoxypropoxy)naphthalen-2-yl]methyl]morpholine-2-carboxamide
CID 59494191
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 42165859

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-N-[[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-N-[[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]methyl]oxolane-2-carboxamide (CID 42171769) is (2R)-N-cyclopropyl-N-[[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-N-[[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-N-[[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]methyl]oxolane-2-carboxamide is COc1ccc(CN(C(=O)[C@H]2CCCO2)C2CC2)cc1OCCc1ccccn1.
What is the InChIKey of (2R)-N-cyclopropyl-N-[[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]methyl]oxolane-2-carboxamide?
The InChIKey is NKGSQPWQMJTSOE-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-27-20-10-7-17(15-22(20)29-14-11-18-5-2-3-12-24-18)16-25(19-8-9-19)23(26)21-6-4-13-28-21/h2-3,5,7,10,12,15,19,21H,4,6,8-9,11,13-14,16H2,1H3/t21-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-N-[[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]methyl]oxolane-2-carboxamide?
(2R)-N-cyclopropyl-N-[[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]methyl]oxolane-2-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.38, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-N-[[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 42171769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).