2-(cyclopropylmethoxy)-N-[(S)-phenyl(pyridin-4-yl)methyl]acetamide

C18H20N2O2 — CID 95150141

IUPAC2-(cyclopropylmethoxy)-N-[(S)-phenyl(pyridin-4-yl)methyl]acetamide
SMILESO=C(COCC1CC1)N[C@@H](c1ccccc1)c1ccncc1
InChIInChI=1S/C18H20N2O2/c21-17(13-22-12-14-6-7-14)20-18(15-4-2-1-3-5-15)16-8-10-19-11-9-16/h1-5,8-11,14,18H,6-7,12-13H2,(H,20,21)/t18-/m0/s1
InChIKeyRYOJYUHOJNEHMV-SFHVURJKSA-N
MW296.37 g/mol
LogP2.71
Rot. Bonds7

About 2-(cyclopropylmethoxy)-N-[(S)-phenyl(pyridin-4-yl)methyl]acetamide

2-(cyclopropylmethoxy)-N-[(S)-phenyl(pyridin-4-yl)methyl]acetamide (PubChem CID 95150141) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-[(S)-phenyl(pyridin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-[(S)-phenyl(pyridin-4-yl)methyl]acetamide
PubChem CID95150141
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-(cyclopropylmethoxy)-N-[(S)-phenyl(pyridin-4-yl)methyl]acetamide
SMILESO=C(COCC1CC1)N[C@@H](c1ccccc1)c1ccncc1
InChIInChI=1S/C18H20N2O2/c21-17(13-22-12-14-6-7-14)20-18(15-4-2-1-3-5-15)16-8-10-19-11-9-16/h1-5,8-11,14,18H,6-7,12-13H2,(H,20,21)/t18-/m0/s1
InChIKeyRYOJYUHOJNEHMV-SFHVURJKSA-N
XLogP2.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethoxy)-N-[(1R)-1,3-diphenylpropyl]acetamide
CID 95573632
2-(1-ethylpiperidin-4-yl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
CID 72915989
2-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-4-yl)methyl]acetamide
CID 17447120
N-(2-amino-2-phenylethyl)-2-(cyclopropylmethoxy)acetamide;hydrochloride
CID 119529587
3-[(2S)-oxolan-2-yl]-N-[phenyl(pyridin-4-yl)methyl]propanamide
CID 166301428
N-benzhydryl-2-(2,2,2-trifluoroethoxy)acetamide
CID 86915357
4-amino-N-[phenyl(pyridin-4-yl)methyl]butanamide;dihydrochloride
CID 119854176
2-(cyclopropylmethylamino)-N-[(4-fluorophenyl)-phenylmethyl]acetamide
CID 119716453
N-[(4-bromophenyl)-phenylmethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119750778
N-benzhydryl-2-(cyclopropylamino)acetamide
CID 60647106
1-methyl-3-[phenyl(pyridin-4-yl)methyl]urea;hydrochloride
CID 24847582
N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 125176787

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-[(S)-phenyl(pyridin-4-yl)methyl]acetamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N-[(S)-phenyl(pyridin-4-yl)methyl]acetamide (CID 95150141) is 2-(cyclopropylmethoxy)-N-[(S)-phenyl(pyridin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-[(S)-phenyl(pyridin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-[(S)-phenyl(pyridin-4-yl)methyl]acetamide is O=C(COCC1CC1)N[C@@H](c1ccccc1)c1ccncc1.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-[(S)-phenyl(pyridin-4-yl)methyl]acetamide?
The InChIKey is RYOJYUHOJNEHMV-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-17(13-22-12-14-6-7-14)20-18(15-4-2-1-3-5-15)16-8-10-19-11-9-16/h1-5,8-11,14,18H,6-7,12-13H2,(H,20,21)/t18-/m0/s1.
What are the key properties of 2-(cyclopropylmethoxy)-N-[(S)-phenyl(pyridin-4-yl)methyl]acetamide?
2-(cyclopropylmethoxy)-N-[(S)-phenyl(pyridin-4-yl)methyl]acetamide has a molecular weight of 296.37 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-[(S)-phenyl(pyridin-4-yl)methyl]acetamide is sourced from PubChem (CID 95150141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).