2-(1-adamantylamino)-N-(2,3-dimethylphenyl)acetamide

C20H28N2O — CID 7536722

IUPAC2-(1-adamantylamino)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNC23CC4CC(CC(C4)C2)C3)c1C
InChIInChI=1S/C20H28N2O/c1-13-4-3-5-18(14(13)2)22-19(23)12-21-20-9-15-6-16(10-20)8-17(7-15)11-20/h3-5,15-17,21H,6-12H2,1-2H3,(H,22,23)
InChIKeyYHNNHEORUYOAJC-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.80
Rot. Bonds4

About 2-(1-adamantylamino)-N-(2,3-dimethylphenyl)acetamide

2-(1-adamantylamino)-N-(2,3-dimethylphenyl)acetamide (PubChem CID 7536722) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-(1-adamantylamino)-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantylamino)-N-(2,3-dimethylphenyl)acetamide
PubChem CID7536722
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name2-(1-adamantylamino)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNC23CC4CC(CC(C4)C2)C3)c1C
InChIInChI=1S/C20H28N2O/c1-13-4-3-5-18(14(13)2)22-19(23)12-21-20-9-15-6-16(10-20)8-17(7-15)11-20/h3-5,15-17,21H,6-12H2,1-2H3,(H,22,23)
InChIKeyYHNNHEORUYOAJC-UHFFFAOYSA-N
XLogP3.80
TPSA41.13 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 ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantylamino)-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 9032292
2-(1-adamantylamino)-N-(2,6-dichlorophenyl)acetamide
CID 7536783
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
2-(1-adamantylamino)-N-(3-methoxyphenyl)acetamide
CID 7536728
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
2-(1-adamantylamino)-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 7666448
N-(2,3-dimethylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78908653
2-(cycloheptylamino)-N-(2,3-dimethylphenyl)acetamide
CID 109005556
3-(1-adamantylcarbamoylamino)-N-(3-chloro-2-methylphenyl)propanamide
CID 26584433
2-(1-adamantylamino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 7666468
N-(2,3-dimethylphenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 110883640
2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 55246569

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylamino)-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-(1-adamantylamino)-N-(2,3-dimethylphenyl)acetamide (CID 7536722) is 2-(1-adamantylamino)-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(1-adamantylamino)-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-(1-adamantylamino)-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CNC23CC4CC(CC(C4)C2)C3)c1C.
What is the InChIKey of 2-(1-adamantylamino)-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is YHNNHEORUYOAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-13-4-3-5-18(14(13)2)22-19(23)12-21-20-9-15-6-16(10-20)8-17(7-15)11-20/h3-5,15-17,21H,6-12H2,1-2H3,(H,22,23).
What are the key properties of 2-(1-adamantylamino)-N-(2,3-dimethylphenyl)acetamide?
2-(1-adamantylamino)-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 312.46 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylamino)-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 7536722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).