N-(2-aminoethyl)-3-methyl-5-phenyladamantane-1-carboxamide

C20H28N2O — CID 130269616

IUPACN-(2-aminoethyl)-3-methyl-5-phenyladamantane-1-carboxamide
SMILESCC12CC3CC(C(=O)NCCN)(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C20H28N2O/c1-18-9-15-10-19(12-18,16-5-3-2-4-6-16)14-20(11-15,13-18)17(23)22-8-7-21/h2-6,15H,7-14,21H2,1H3,(H,22,23)
InChIKeyIVKNSVWQEMDLHM-UHFFFAOYSA-N
MW312.46 g/mol
LogP2.99
Rot. Bonds4

About N-(2-aminoethyl)-3-methyl-5-phenyladamantane-1-carboxamide

N-(2-aminoethyl)-3-methyl-5-phenyladamantane-1-carboxamide (PubChem CID 130269616) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-methyl-5-phenyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-methyl-5-phenyladamantane-1-carboxamide
PubChem CID130269616
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC NameN-(2-aminoethyl)-3-methyl-5-phenyladamantane-1-carboxamide
SMILESCC12CC3CC(C(=O)NCCN)(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C20H28N2O/c1-18-9-15-10-19(12-18,16-5-3-2-4-6-16)14-20(11-15,13-18)17(23)22-8-7-21/h2-6,15H,7-14,21H2,1H3,(H,22,23)
InChIKeyIVKNSVWQEMDLHM-UHFFFAOYSA-N
XLogP2.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-methyl-5-phenyladamantane-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-3-methyl-5-phenyladamantane-1-carboxamide (CID 130269616) is N-(2-aminoethyl)-3-methyl-5-phenyladamantane-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-3-methyl-5-phenyladamantane-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-3-methyl-5-phenyladamantane-1-carboxamide is CC12CC3CC(C(=O)NCCN)(C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of N-(2-aminoethyl)-3-methyl-5-phenyladamantane-1-carboxamide?
The InChIKey is IVKNSVWQEMDLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-18-9-15-10-19(12-18,16-5-3-2-4-6-16)14-20(11-15,13-18)17(23)22-8-7-21/h2-6,15H,7-14,21H2,1H3,(H,22,23).
What are the key properties of N-(2-aminoethyl)-3-methyl-5-phenyladamantane-1-carboxamide?
N-(2-aminoethyl)-3-methyl-5-phenyladamantane-1-carboxamide has a molecular weight of 312.46 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-methyl-5-phenyladamantane-1-carboxamide is sourced from PubChem (CID 130269616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).