(2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3,3-dimethylbutanamide;hydrochloride

C16H33ClN2O2 — CID 119812179

IUPAC(2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCCOCCC1(CNC(=O)[C@@H](N)C(C)(C)C)CCCC1.Cl
InChIInChI=1S/C16H32N2O2.ClH/c1-5-20-11-10-16(8-6-7-9-16)12-18-14(19)13(17)15(2,3)4;/h13H,5-12,17H2,1-4H3,(H,18,19);1H/t13-;/m1./s1
InChIKeyCVXIZLIBHSKXGH-BTQNPOSSSA-N
MW320.91 g/mol
LogP2.88
Rot. Bonds7

About (2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3,3-dimethylbutanamide;hydrochloride

(2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3,3-dimethylbutanamide;hydrochloride (PubChem CID 119812179) has the molecular formula C16H33ClN2O2 and a molecular weight of 320.91 g/mol. Its IUPAC name is (2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3,3-dimethylbutanamide;hydrochloride
PubChem CID119812179
Molecular FormulaC16H33ClN2O2
Molecular Weight320.91 g/mol
Exact Mass320.22
IUPAC Name(2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCCOCCC1(CNC(=O)[C@@H](N)C(C)(C)C)CCCC1.Cl
InChIInChI=1S/C16H32N2O2.ClH/c1-5-20-11-10-16(8-6-7-9-16)12-18-14(19)13(17)15(2,3)4;/h13H,5-12,17H2,1-4H3,(H,18,19);1H/t13-;/m1./s1
InChIKeyCVXIZLIBHSKXGH-BTQNPOSSSA-N
XLogP2.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.91
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride
CID 119820348
3-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119820336
2-amino-3,3-dimethyl-N-[(1-propylcyclopropyl)methyl]butanamide
CID 103827771
2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3,3-dimethylbutanamide
CID 114756823
N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119820324
(2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethylbutanamide;hydrochloride
CID 119675575
2-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methylpentanamide;hydrochloride
CID 119820346
2-amino-N-[(1-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide
CID 77210747
(2S)-2-amino-3,3-dimethyl-N-[(1-propoxycyclohexyl)methyl]butanamide
CID 119819509
1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclopropane-1-carboxamide
CID 119820293
2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide
CID 77056764
1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclohexane-1-carboxamide
CID 119344511

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3,3-dimethylbutanamide;hydrochloride (CID 119812179) is (2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3,3-dimethylbutanamide;hydrochloride is CCOCCC1(CNC(=O)[C@@H](N)C(C)(C)C)CCCC1.Cl.
What is the InChIKey of (2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is CVXIZLIBHSKXGH-BTQNPOSSSA-N. The full InChI is InChI=1S/C16H32N2O2.ClH/c1-5-20-11-10-16(8-6-7-9-16)12-18-14(19)13(17)15(2,3)4;/h13H,5-12,17H2,1-4H3,(H,18,19);1H/t13-;/m1./s1.
What are the key properties of (2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3,3-dimethylbutanamide;hydrochloride?
(2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 320.91 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119812179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).