(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide

C15H24N2O2 — CID 93372926

IUPAC(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide
SMILESCCC[C@H](N)C(=O)N(CC)Cc1ccc(OC)cc1
InChIInChI=1S/C15H24N2O2/c1-4-6-14(16)15(18)17(5-2)11-12-7-9-13(19-3)10-8-12/h7-10,14H,4-6,11,16H2,1-3H3/t14-/m0/s1
InChIKeyOYJPFSBSXLTOND-AWEZNQCLSA-N
MW264.37 g/mol
LogP2.17
Rot. Bonds7

About (2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide

(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide (PubChem CID 93372926) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide
PubChem CID93372926
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide
SMILESCCC[C@H](N)C(=O)N(CC)Cc1ccc(OC)cc1
InChIInChI=1S/C15H24N2O2/c1-4-6-14(16)15(18)17(5-2)11-12-7-9-13(19-3)10-8-12/h7-10,14H,4-6,11,16H2,1-3H3/t14-/m0/s1
InChIKeyOYJPFSBSXLTOND-AWEZNQCLSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylsulfanylbutanamide
CID 104907794
2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride
CID 119266470
(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 61163391
2-amino-N-ethyl-N-(pyridin-4-ylmethyl)pentanamide
CID 54873793
2-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 65227293
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride
CID 120560791
2-amino-N-ethyl-N-(furan-3-ylmethyl)pentanamide
CID 86784232
(2S)-2-amino-N-benzyl-N-(2-methoxyethyl)pentanamide
CID 93367288
2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 61266612
2-amino-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanamide
CID 119271670
3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 64678742
2-amino-N-benzyl-N-(2-phenylethyl)pentanamide
CID 119264050

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide (CID 93372926) is (2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide is CCC[C@H](N)C(=O)N(CC)Cc1ccc(OC)cc1.
What is the InChIKey of (2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide?
The InChIKey is OYJPFSBSXLTOND-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-6-14(16)15(18)17(5-2)11-12-7-9-13(19-3)10-8-12/h7-10,14H,4-6,11,16H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide?
(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide has a molecular weight of 264.37 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide is sourced from PubChem (CID 93372926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).