3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride

C18H29ClN2O2 — CID 119820368

IUPAC3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCOCCC1(CNC(=O)C(C)C(N)c2ccccc2)CCC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-14(16(19)15-7-4-3-5-8-15)17(21)20-13-18(9-6-10-18)11-12-22-2;/h3-5,7-8,14,16H,6,9-13,19H2,1-2H3,(H,20,21);1H
InChIKeyISGDZZNKCKMXFM-UHFFFAOYSA-N
MW340.90 g/mol
LogP3.07
Rot. Bonds8

About 3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride

3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119820368) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is 3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119820368
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC Name3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCOCCC1(CNC(=O)C(C)C(N)c2ccccc2)CCC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-14(16(19)15-7-4-3-5-8-15)17(21)20-13-18(9-6-10-18)11-12-22-2;/h3-5,7-8,14,16H,6,9-13,19H2,1-2H3,(H,20,21);1H
InChIKeyISGDZZNKCKMXFM-UHFFFAOYSA-N
XLogP3.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-3-phenyl-N-[(1-propylcyclobutyl)methyl]propanamide;hydrochloride
CID 119821711
2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119344536
1-[[(3-amino-2-methyl-3-phenylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445799
3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119722375
(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride
CID 119820408
3-amino-N-[(1-benzylcyclobutyl)methyl]-2-methylbutanamide;hydrochloride
CID 120502353
(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-methylpentanamide;hydrochloride
CID 119812150
3-amino-N-(4-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119765561
2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pentanamide
CID 119344547
2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]benzamide
CID 119945992
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methyl-3-phenylpropanamide
CID 115738057
3-amino-N-(1-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706806

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride (CID 119820368) is 3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride is COCCC1(CNC(=O)C(C)C(N)c2ccccc2)CCC1.Cl.
What is the InChIKey of 3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is ISGDZZNKCKMXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-14(16(19)15-7-4-3-5-8-15)17(21)20-13-18(9-6-10-18)11-12-22-2;/h3-5,7-8,14,16H,6,9-13,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119820368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).