N-(1-amino-2,3-dimethylbutan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride

C20H27ClN2O — CID 119607624

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)C1CC1c1ccc2ccccc2c1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-13(2)20(3,12-21)22-19(23)18-11-17(18)16-9-8-14-6-4-5-7-15(14)10-16;/h4-10,13,17-18H,11-12,21H2,1-3H3,(H,22,23);1H
InChIKeyNGJPLKJLZDVSIC-UHFFFAOYSA-N
MW346.90 g/mol
LogP3.85
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 119607624) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride
PubChem CID119607624
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)C1CC1c1ccc2ccccc2c1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-13(2)20(3,12-21)22-19(23)18-11-17(18)16-9-8-14-6-4-5-7-15(14)10-16;/h4-10,13,17-18H,11-12,21H2,1-3H3,(H,22,23);1H
InChIKeyNGJPLKJLZDVSIC-UHFFFAOYSA-N
XLogP3.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 110001055
N-(3-amino-2-methylpropyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride
CID 119998352
N-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide
CID 81486115
N-(2-aminoethyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 119384164
N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119607229
N-[(2R)-2-(ethylamino)propyl]-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 120650801
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 119598536
N-(1-amino-2,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127299
N-(1-amino-2,3-dimethylbutan-2-yl)-2-naphthalen-2-yloxyacetamide
CID 119605476
trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888068
2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 43810264
cis-(1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888066

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride (CID 119607624) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride is CC(C)C(C)(CN)NC(=O)C1CC1c1ccc2ccccc2c1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is NGJPLKJLZDVSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.ClH/c1-13(2)20(3,12-21)22-19(23)18-11-17(18)16-9-8-14-6-4-5-7-15(14)10-16;/h4-10,13,17-18H,11-12,21H2,1-3H3,(H,22,23);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119607624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).