N-[(2-hydroxy-2-adamantyl)methyl]-1-methylazepane-2-carboxamide

C19H32N2O2 — CID 131944682

IUPACN-[(2-hydroxy-2-adamantyl)methyl]-1-methylazepane-2-carboxamide
SMILESCN1CCCCCC1C(=O)NCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H32N2O2/c1-21-6-4-2-3-5-17(21)18(22)20-12-19(23)15-8-13-7-14(10-15)11-16(19)9-13/h13-17,23H,2-12H2,1H3,(H,20,22)
InChIKeyBVTYWMDVZVQYRK-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.16
Rot. Bonds3

About N-[(2-hydroxy-2-adamantyl)methyl]-1-methylazepane-2-carboxamide

N-[(2-hydroxy-2-adamantyl)methyl]-1-methylazepane-2-carboxamide (PubChem CID 131944682) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-[(2-hydroxy-2-adamantyl)methyl]-1-methylazepane-2-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-2-adamantyl)methyl]-1-methylazepane-2-carboxamide
PubChem CID131944682
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC NameN-[(2-hydroxy-2-adamantyl)methyl]-1-methylazepane-2-carboxamide
SMILESCN1CCCCCC1C(=O)NCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H32N2O2/c1-21-6-4-2-3-5-17(21)18(22)20-12-19(23)15-8-13-7-14(10-15)11-16(19)9-13/h13-17,23H,2-12H2,1H3,(H,20,22)
InChIKeyBVTYWMDVZVQYRK-UHFFFAOYSA-N
XLogP2.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2-hydroxy-2-adamantyl)methyl]-1-methylazepane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-adamantylmethyl)-1-methylpyrrolidine-2-carboxamide
CID 136518757
4-[(1-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 110837340
1-methylazepane-2-carbonyl chloride
CID 88548044
N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide
CID 110851383
(2S)-1-methyl-N-[3-(1,2,4-triazol-4-yl)propyl]azepane-2-carboxamide
CID 97209651
N-[(3,4-difluorophenyl)methyl]-1-methylazepane-2-carboxamide
CID 72877122
(2S)-N-(3-hydroxy-1-adamantyl)-1-methylpyrrolidine-2-carboxamide
CID 131914978
(2S)-1-methyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 139684981
1-methyl-N-pent-4-ynylpyrrolidine-2-carboxamide
CID 143354246
formic acid;1-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]azepane-2-carboxamide
CID 154912664
1-methyl-N-(2-pyrazin-2-ylethyl)azepane-2-carboxamide
CID 72838302
1-methyl-N-[3-(pyridin-3-ylamino)propyl]azepane-2-carboxamide
CID 72889342

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-2-adamantyl)methyl]-1-methylazepane-2-carboxamide?
The IUPAC name of N-[(2-hydroxy-2-adamantyl)methyl]-1-methylazepane-2-carboxamide (CID 131944682) is N-[(2-hydroxy-2-adamantyl)methyl]-1-methylazepane-2-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-2-adamantyl)methyl]-1-methylazepane-2-carboxamide?
The canonical SMILES for N-[(2-hydroxy-2-adamantyl)methyl]-1-methylazepane-2-carboxamide is CN1CCCCCC1C(=O)NCC1(O)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[(2-hydroxy-2-adamantyl)methyl]-1-methylazepane-2-carboxamide?
The InChIKey is BVTYWMDVZVQYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-21-6-4-2-3-5-17(21)18(22)20-12-19(23)15-8-13-7-14(10-15)11-16(19)9-13/h13-17,23H,2-12H2,1H3,(H,20,22).
What are the key properties of N-[(2-hydroxy-2-adamantyl)methyl]-1-methylazepane-2-carboxamide?
N-[(2-hydroxy-2-adamantyl)methyl]-1-methylazepane-2-carboxamide has a molecular weight of 320.48 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-2-adamantyl)methyl]-1-methylazepane-2-carboxamide is sourced from PubChem (CID 131944682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).