N-[4-[(1-adamantylamino)methyl]phenyl]acetamide

C19H26N2O — CID 43824778

IUPACN-[4-[(1-adamantylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H26N2O/c1-13(22)21-18-4-2-14(3-5-18)12-20-19-9-15-6-16(10-19)8-17(7-15)11-19/h2-5,15-17,20H,6-12H2,1H3,(H,21,22)
InChIKeyXQJUZSXODFOPCK-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.70
Rot. Bonds4

About N-[4-[(1-adamantylamino)methyl]phenyl]acetamide

N-[4-[(1-adamantylamino)methyl]phenyl]acetamide (PubChem CID 43824778) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[4-[(1-adamantylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1-adamantylamino)methyl]phenyl]acetamide
PubChem CID43824778
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN-[4-[(1-adamantylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H26N2O/c1-13(22)21-18-4-2-14(3-5-18)12-20-19-9-15-6-16(10-19)8-17(7-15)11-19/h2-5,15-17,20H,6-12H2,1H3,(H,21,22)
InChIKeyXQJUZSXODFOPCK-UHFFFAOYSA-N
XLogP3.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11942
4',4''-Methylenebis(acetanilide)
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N-[4-(1-Adamantyl)phenyl]acetamide
CID 536624
N-[4-(aminomethyl)phenyl]acetamide
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N-(1-adamantyl)-2-oxo-1-pentylquinoline-3-carboxamide
CID 53387351
N-(1-adamantyl)-2-oxo-1-pentyl-6-propan-2-ylquinoline-3-carboxamide
CID 127032001
3-(4-benzyl-1-piperidinyl)-N-(4-methylphenyl)propanamide
CID 894420
N-(2-phenylethyl)-N'-[4-(propan-2-yl)phenyl]pentanediamide
CID 3254185
ST014790
CID 2883757
N-[2-(4-Acetylamino-phenyl)-1-phenyl-ethyl]-2,2-diphenyl-acetamide
CID 10003801
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CID 10737263

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-adamantylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1-adamantylamino)methyl]phenyl]acetamide (CID 43824778) is N-[4-[(1-adamantylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1-adamantylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1-adamantylamino)methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[4-[(1-adamantylamino)methyl]phenyl]acetamide?
The InChIKey is XQJUZSXODFOPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-13(22)21-18-4-2-14(3-5-18)12-20-19-9-15-6-16(10-19)8-17(7-15)11-19/h2-5,15-17,20H,6-12H2,1H3,(H,21,22).
What are the key properties of N-[4-[(1-adamantylamino)methyl]phenyl]acetamide?
N-[4-[(1-adamantylamino)methyl]phenyl]acetamide has a molecular weight of 298.43 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-adamantylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 43824778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).