(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide

C15H24N2O2 — CID 61163391

IUPAC(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C15H24N2O2/c1-5-17(15(18)14(16)11(2)3)10-12-6-8-13(19-4)9-7-12/h6-9,11,14H,5,10,16H2,1-4H3/t14-/m0/s1
InChIKeyBUDOGGQNYZWYDX-AWEZNQCLSA-N
MW264.37 g/mol
LogP2.03
Rot. Bonds6

About (2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide

(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide (PubChem CID 61163391) 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]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
PubChem CID61163391
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C15H24N2O2/c1-5-17(15(18)14(16)11(2)3)10-12-6-8-13(19-4)9-7-12/h6-9,11,14H,5,10,16H2,1-4H3/t14-/m0/s1
InChIKeyBUDOGGQNYZWYDX-AWEZNQCLSA-N
XLogP2.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-ethyl-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 66568463
2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54868494
(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide
CID 93372926
2-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 65227293
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride
CID 120560791
(2R)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylsulfanylbutanamide
CID 104907794
2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 61266612
(2S)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-3-methylpentanamide
CID 61172861
2-amino-N-benzyl-N-ethyl-3-methylpentanamide;hydrochloride
CID 119674320
2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide
CID 54869423
2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 167827972
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 79012349

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide (CID 61163391) is (2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide is CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide?
The InChIKey is BUDOGGQNYZWYDX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-17(15(18)14(16)11(2)3)10-12-6-8-13(19-4)9-7-12/h6-9,11,14H,5,10,16H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide?
(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 2.03, 6 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]-3-methylbutanamide is sourced from PubChem (CID 61163391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).