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

C16H25ClN2O2 — CID 119821933

IUPAC3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)benzamide;hydrochloride
SMILESCCC1(CC)C(NC(=O)c2cccc(N)c2)CC1OC.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-4-16(5-2)13(10-14(16)20-3)18-15(19)11-7-6-8-12(17)9-11;/h6-9,13-14H,4-5,10,17H2,1-3H3,(H,18,19);1H
InChIKeyVEJKDVLVLJGBFW-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.01
Rot. Bonds5

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

3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)benzamide;hydrochloride (PubChem CID 119821933) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)benzamide;hydrochloride
PubChem CID119821933
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)benzamide;hydrochloride
SMILESCCC1(CC)C(NC(=O)c2cccc(N)c2)CC1OC.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-4-16(5-2)13(10-14(16)20-3)18-15(19)11-7-6-8-12(17)9-11;/h6-9,13-14H,4-5,10,17H2,1-3H3,(H,18,19);1H
InChIKeyVEJKDVLVLJGBFW-UHFFFAOYSA-N
XLogP3.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)benzamide
CID 119794751
N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-3-hydroxy-4-nitrobenzamide
CID 99695661
N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252924
3-amino-N-(2-methylcyclopropyl)benzamide
CID 62399086
3-amino-N-(2-methoxycyclopentyl)benzamide
CID 62086745
3-amino-N-(3,5-dimethylcyclohexyl)benzamide
CID 64733610
3-[(3-aminobenzoyl)amino]-2-methoxypropanoic acid
CID 106109026
N-(2,2-diethyl-3-methoxycyclobutyl)-2-(2-methoxyethylamino)acetamide
CID 119821952
3-amino-N-(2-methoxy-3-methylbutyl)benzamide;hydrochloride
CID 119813458
N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-1-hydroxycyclobutane-1-carboxamide
CID 99778007
3-amino-N-(2,2-diethoxyethyl)benzamide
CID 79547967
3-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)benzamide;hydrochloride
CID 119758396

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)benzamide;hydrochloride?
The IUPAC name of 3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)benzamide;hydrochloride (CID 119821933) is 3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)benzamide;hydrochloride is CCC1(CC)C(NC(=O)c2cccc(N)c2)CC1OC.Cl.
What is the InChIKey of 3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)benzamide;hydrochloride?
The InChIKey is VEJKDVLVLJGBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-4-16(5-2)13(10-14(16)20-3)18-15(19)11-7-6-8-12(17)9-11;/h6-9,13-14H,4-5,10,17H2,1-3H3,(H,18,19);1H.
What are the key properties of 3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)benzamide;hydrochloride?
3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)benzamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 3.01, 5 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)benzamide;hydrochloride is sourced from PubChem (CID 119821933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).