N-(3-amino-2,2-dimethylcyclobutyl)-2-naphthalen-2-ylacetamide

C18H22N2O — CID 114632481

IUPACN-(3-amino-2,2-dimethylcyclobutyl)-2-naphthalen-2-ylacetamide
SMILESCC1(C)C(N)CC1NC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O/c1-18(2)15(19)11-16(18)20-17(21)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,15-16H,10-11,19H2,1-2H3,(H,20,21)
InChIKeyMXLYMORXKVPKED-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.62
Rot. Bonds3

About N-(3-amino-2,2-dimethylcyclobutyl)-2-naphthalen-2-ylacetamide

N-(3-amino-2,2-dimethylcyclobutyl)-2-naphthalen-2-ylacetamide (PubChem CID 114632481) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylcyclobutyl)-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylcyclobutyl)-2-naphthalen-2-ylacetamide
PubChem CID114632481
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(3-amino-2,2-dimethylcyclobutyl)-2-naphthalen-2-ylacetamide
SMILESCC1(C)C(N)CC1NC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O/c1-18(2)15(19)11-16(18)20-17(21)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,15-16H,10-11,19H2,1-2H3,(H,20,21)
InChIKeyMXLYMORXKVPKED-UHFFFAOYSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-2-naphthalen-2-ylacetamide?
The IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-2-naphthalen-2-ylacetamide (CID 114632481) is N-(3-amino-2,2-dimethylcyclobutyl)-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylcyclobutyl)-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-(3-amino-2,2-dimethylcyclobutyl)-2-naphthalen-2-ylacetamide is CC1(C)C(N)CC1NC(=O)Cc1ccc2ccccc2c1.
What is the InChIKey of N-(3-amino-2,2-dimethylcyclobutyl)-2-naphthalen-2-ylacetamide?
The InChIKey is MXLYMORXKVPKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-18(2)15(19)11-16(18)20-17(21)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,15-16H,10-11,19H2,1-2H3,(H,20,21).
What are the key properties of N-(3-amino-2,2-dimethylcyclobutyl)-2-naphthalen-2-ylacetamide?
N-(3-amino-2,2-dimethylcyclobutyl)-2-naphthalen-2-ylacetamide has a molecular weight of 282.39 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylcyclobutyl)-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 114632481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).