N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenyloxane-3-carboxamide

C18H28N2O2 — CID 119653593

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenyloxane-3-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)C1CCCOC1c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-18(2,12-19)13-20(3)17(21)15-10-7-11-22-16(15)14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-13,19H2,1-3H3
InChIKeyLSESBVMFIAPDRO-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.60
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenyloxane-3-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenyloxane-3-carboxamide (PubChem CID 119653593) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenyloxane-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenyloxane-3-carboxamide
PubChem CID119653593
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenyloxane-3-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)C1CCCOC1c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-18(2,12-19)13-20(3)17(21)15-10-7-11-22-16(15)14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-13,19H2,1-3H3
InChIKeyLSESBVMFIAPDRO-UHFFFAOYSA-N
XLogP2.60
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenyloxane-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenyloxane-3-carboxamide (CID 119653593) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenyloxane-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenyloxane-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenyloxane-3-carboxamide is CN(CC(C)(C)CN)C(=O)C1CCCOC1c1ccccc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenyloxane-3-carboxamide?
The InChIKey is LSESBVMFIAPDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-18(2,12-19)13-20(3)17(21)15-10-7-11-22-16(15)14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-13,19H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenyloxane-3-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenyloxane-3-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenyloxane-3-carboxamide is sourced from PubChem (CID 119653593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).