N-(2-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride

C15H25ClN2O — CID 2942203

IUPACN-(2-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride
SMILESC=CCNCC(=O)NC1C2CC3CC(C2)CC1C3.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-2-3-16-9-14(18)17-15-12-5-10-4-11(7-12)8-13(15)6-10;/h2,10-13,15-16H,1,3-9H2,(H,17,18);1H
InChIKeyUJLPGAMZRZLHCZ-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.12
Rot. Bonds5

About N-(2-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride

N-(2-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride (PubChem CID 2942203) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is N-(2-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride
PubChem CID2942203
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC NameN-(2-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride
SMILESC=CCNCC(=O)NC1C2CC3CC(C2)CC1C3.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-2-3-16-9-14(18)17-15-12-5-10-4-11(7-12)8-13(15)6-10;/h2,10-13,15-16H,1,3-9H2,(H,17,18);1H
InChIKeyUJLPGAMZRZLHCZ-UHFFFAOYSA-N
XLogP2.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(2-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride 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

Cambridge id 6106349
CID 2886171
N~1~-1-adamantyl-N~2~-allylglycinamide hydrochloride
CID 2886172
N-adamantan-2-yl-2-(diethylamino)acetamide
CID 7471172
N-(adamantan-2-yl)-2-(diethylamino)acetamide hydrochloride
CID 16800355
N-(2-adamantyl)-2-aminoacetamide
CID 43222209
N-(2-adamantyl)-2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]acetamide
CID 117951520
2-(2-adamantylamino)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide
CID 164672395
N-(2-adamantyl)-2-(methylamino)acetamide;hydrochloride
CID 2941494
N-(adamantan-2-yl)prop-2-enamide
CID 14986569
2-(2-Adamantylamino)acetamide
CID 43406800
N-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)amino]ethyl]prop-2-enamide
CID 58186022
N-[2-[(2-methyl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide
CID 58186045

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride?
The IUPAC name of N-(2-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride (CID 2942203) is N-(2-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(2-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride?
The canonical SMILES for N-(2-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride is C=CCNCC(=O)NC1C2CC3CC(C2)CC1C3.Cl.
What is the InChIKey of N-(2-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride?
The InChIKey is UJLPGAMZRZLHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.ClH/c1-2-3-16-9-14(18)17-15-12-5-10-4-11(7-12)8-13(15)6-10;/h2,10-13,15-16H,1,3-9H2,(H,17,18);1H.
What are the key properties of N-(2-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride?
N-(2-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride is sourced from PubChem (CID 2942203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).