N-[(4-methoxyphenyl)methyl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide

C17H21N3O2 — CID 97347952

IUPACN-[(4-methoxyphenyl)methyl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide
SMILESCOc1ccc(CNC(=O)CN[C@@H](C)c2cccnc2)cc1
InChIInChI=1S/C17H21N3O2/c1-13(15-4-3-9-18-11-15)19-12-17(21)20-10-14-5-7-16(22-2)8-6-14/h3-9,11,13,19H,10,12H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyDOLWDHXAJXSNQT-ZDUSSCGKSA-N
MW299.37 g/mol
LogP2.06
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide

N-[(4-methoxyphenyl)methyl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide (PubChem CID 97347952) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide
PubChem CID97347952
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide
SMILESCOc1ccc(CNC(=O)CN[C@@H](C)c2cccnc2)cc1
InChIInChI=1S/C17H21N3O2/c1-13(15-4-3-9-18-11-15)19-12-17(21)20-10-14-5-7-16(22-2)8-6-14/h3-9,11,13,19H,10,12H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyDOLWDHXAJXSNQT-ZDUSSCGKSA-N
XLogP2.06
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131857
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 110487955
1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid
CID 17382607
4-[(1-pyridin-3-ylethylamino)methyl]benzoic acid
CID 62216414
5-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]pentanamide
CID 94661779
(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
CID 79032772
N'-[1-(4-methoxyphenyl)ethyl]-N-(pyridin-3-ylmethyl)oxamide
CID 3136550
3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 45194858
N-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 43181726
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732
2-methoxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-phenylacetamide
CID 60589002
4-(4-methoxyphenoxy)-N-(1-pyridin-3-ylethyl)butanamide
CID 51193160

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide (CID 97347952) is N-[(4-methoxyphenyl)methyl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide is COc1ccc(CNC(=O)CN[C@@H](C)c2cccnc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide?
The InChIKey is DOLWDHXAJXSNQT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13(15-4-3-9-18-11-15)19-12-17(21)20-10-14-5-7-16(22-2)8-6-14/h3-9,11,13,19H,10,12H2,1-2H3,(H,20,21)/t13-/m0/s1.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide?
N-[(4-methoxyphenyl)methyl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide is sourced from PubChem (CID 97347952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).