(2S)-2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-4-methylpentanamide

C18H30N2O3 — CID 119714660

IUPAC(2S)-2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-4-methylpentanamide
SMILESCCCCOc1ccc(CNC(=O)[C@@H](N)CC(C)C)cc1OC
InChIInChI=1S/C18H30N2O3/c1-5-6-9-23-16-8-7-14(11-17(16)22-4)12-20-18(21)15(19)10-13(2)3/h7-8,11,13,15H,5-6,9-10,12,19H2,1-4H3,(H,20,21)/t15-/m0/s1
InChIKeyWAMYTEMGXCGUPU-HNNXBMFYSA-N
MW322.45 g/mol
LogP2.86
Rot. Bonds10

About (2S)-2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-4-methylpentanamide

(2S)-2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-4-methylpentanamide (PubChem CID 119714660) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2S)-2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-4-methylpentanamide
PubChem CID119714660
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name(2S)-2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-4-methylpentanamide
SMILESCCCCOc1ccc(CNC(=O)[C@@H](N)CC(C)C)cc1OC
InChIInChI=1S/C18H30N2O3/c1-5-6-9-23-16-8-7-14(11-17(16)22-4)12-20-18(21)15(19)10-13(2)3/h7-8,11,13,15H,5-6,9-10,12,19H2,1-4H3,(H,20,21)/t15-/m0/s1
InChIKeyWAMYTEMGXCGUPU-HNNXBMFYSA-N
XLogP2.86
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119284589
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-4-methoxybutanamide
CID 62473722
2-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]acetamide
CID 112547109
2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 119271942
(2S)-2-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-methylpentanamide
CID 119723292
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 39971234
2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide
CID 120588376
2-amino-3-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide;hydrochloride
CID 120983886
2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide;hydrochloride
CID 120588375
5-bromo-2-butoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 54776790
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 39971450
N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 39971385

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-4-methylpentanamide (CID 119714660) is (2S)-2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-4-methylpentanamide is CCCCOc1ccc(CNC(=O)[C@@H](N)CC(C)C)cc1OC.
What is the InChIKey of (2S)-2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-4-methylpentanamide?
The InChIKey is WAMYTEMGXCGUPU-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-5-6-9-23-16-8-7-14(11-17(16)22-4)12-20-18(21)15(19)10-13(2)3/h7-8,11,13,15H,5-6,9-10,12,19H2,1-4H3,(H,20,21)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-4-methylpentanamide?
(2S)-2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-4-methylpentanamide has a molecular weight of 322.45 g/mol, XLogP of 2.86, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-4-methylpentanamide is sourced from PubChem (CID 119714660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).