3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methyl-3-phenylpropanamide;hydrochloride

C19H31ClN2O2 — CID 119821917

IUPAC3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCCC1(CC)C(NC(=O)C(C)C(N)c2ccccc2)CC1OC.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-5-19(6-2)15(12-16(19)23-4)21-18(22)13(3)17(20)14-10-8-7-9-11-14;/h7-11,13,15-17H,5-6,12,20H2,1-4H3,(H,21,22);1H
InChIKeyCSTHVNHLKLLLJX-UHFFFAOYSA-N
MW354.92 g/mol
LogP3.45
Rot. Bonds7

About 3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methyl-3-phenylpropanamide;hydrochloride

3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119821917) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is 3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119821917
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC Name3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCCC1(CC)C(NC(=O)C(C)C(N)c2ccccc2)CC1OC.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-5-19(6-2)15(12-16(19)23-4)21-18(22)13(3)17(20)14-10-8-7-9-11-14;/h7-11,13,15-17H,5-6,12,20H2,1-4H3,(H,21,22);1H
InChIKeyCSTHVNHLKLLLJX-UHFFFAOYSA-N
XLogP3.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2,2-diethyl-3-methoxycyclobutyl)propanamide
CID 119345408
3-amino-2-methyl-N-(3-methylcyclobutyl)-3-phenylpropanamide;hydrochloride
CID 119790806
3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-phenylpropanamide;hydrochloride
CID 119817851
3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)benzamide;hydrochloride
CID 119821933
(2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-3-phenylpropanamide;hydrochloride
CID 119343152
3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706690
3-amino-N-(1-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706806
3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119669598
methyl (2S)-2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119772930
3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119861809
3-amino-2-methyl-N-(2-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119676490
3-amino-N-(4-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119765561

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methyl-3-phenylpropanamide;hydrochloride (CID 119821917) is 3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methyl-3-phenylpropanamide;hydrochloride is CCC1(CC)C(NC(=O)C(C)C(N)c2ccccc2)CC1OC.Cl.
What is the InChIKey of 3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is CSTHVNHLKLLLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-5-19(6-2)15(12-16(19)23-4)21-18(22)13(3)17(20)14-10-8-7-9-11-14;/h7-11,13,15-17H,5-6,12,20H2,1-4H3,(H,21,22);1H.
What are the key properties of 3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119821917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).