(2S)-2-amino-N,N-diethyl-2-(3-hydroxy-5,7-dimethyl-1-adamantyl)acetamide

C18H32N2O2 — CID 70881721

IUPAC(2S)-2-amino-N,N-diethyl-2-(3-hydroxy-5,7-dimethyl-1-adamantyl)acetamide
SMILESCCN(CC)C(=O)[C@@H](N)C12CC3(C)CC(C)(CC(O)(C3)C1)C2
InChIInChI=1S/C18H32N2O2/c1-5-20(6-2)14(21)13(19)17-8-15(3)7-16(4,9-17)11-18(22,10-15)12-17/h13,22H,5-12,19H2,1-4H3/t13-,15?,16?,17?,18?/m1/s1
InChIKeyCMXJGQWDTABODV-MZHSRFCDSA-N
MW308.47 g/mol
LogP2.29
Rot. Bonds4

About (2S)-2-amino-N,N-diethyl-2-(3-hydroxy-5,7-dimethyl-1-adamantyl)acetamide

(2S)-2-amino-N,N-diethyl-2-(3-hydroxy-5,7-dimethyl-1-adamantyl)acetamide (PubChem CID 70881721) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is (2S)-2-amino-N,N-diethyl-2-(3-hydroxy-5,7-dimethyl-1-adamantyl)acetamide.

Molecular Properties

Compound Name(2S)-2-amino-N,N-diethyl-2-(3-hydroxy-5,7-dimethyl-1-adamantyl)acetamide
PubChem CID70881721
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name(2S)-2-amino-N,N-diethyl-2-(3-hydroxy-5,7-dimethyl-1-adamantyl)acetamide
SMILESCCN(CC)C(=O)[C@@H](N)C12CC3(C)CC(C)(CC(O)(C3)C1)C2
InChIInChI=1S/C18H32N2O2/c1-5-20(6-2)14(21)13(19)17-8-15(3)7-16(4,9-17)11-18(22,10-15)12-17/h13,22H,5-12,19H2,1-4H3/t13-,15?,16?,17?,18?/m1/s1
InChIKeyCMXJGQWDTABODV-MZHSRFCDSA-N
XLogP2.29
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(3-hydroxy-1-adamantyl)-N,N-bis(2-hydroxyethyl)acetamide
CID 164909551
2-amino-N,N-diethyl-4-methylpentanamide
CID 24697294
2,2-dichloro-N,N-diethylacetamide
CID 141409453
(2R)-2-amino-N-ethyl-N-(2-methylbutyl)propanamide
CID 79469965
2-[(4-aminocyclohexyl)-methylamino]-N,N-diethylpropanamide
CID 79121180
2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N,N-diethylpropanamide
CID 107161572
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methylpiperidine-4-carboxamide
CID 79378279
N,N-diethyl-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 62020446
2-amino-N,N-diethylpropanamide;methyl 2-aminopropanoate
CID 87889467
1,1-diethylurea;methanol
CID 88508313
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
2-(2-aminopropylsulfanyl)-N,N-diethylpropanamide
CID 66219204

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,N-diethyl-2-(3-hydroxy-5,7-dimethyl-1-adamantyl)acetamide?
The IUPAC name of (2S)-2-amino-N,N-diethyl-2-(3-hydroxy-5,7-dimethyl-1-adamantyl)acetamide (CID 70881721) is (2S)-2-amino-N,N-diethyl-2-(3-hydroxy-5,7-dimethyl-1-adamantyl)acetamide.
What is the SMILES notation for (2S)-2-amino-N,N-diethyl-2-(3-hydroxy-5,7-dimethyl-1-adamantyl)acetamide?
The canonical SMILES for (2S)-2-amino-N,N-diethyl-2-(3-hydroxy-5,7-dimethyl-1-adamantyl)acetamide is CCN(CC)C(=O)[C@@H](N)C12CC3(C)CC(C)(CC(O)(C3)C1)C2.
What is the InChIKey of (2S)-2-amino-N,N-diethyl-2-(3-hydroxy-5,7-dimethyl-1-adamantyl)acetamide?
The InChIKey is CMXJGQWDTABODV-MZHSRFCDSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-5-20(6-2)14(21)13(19)17-8-15(3)7-16(4,9-17)11-18(22,10-15)12-17/h13,22H,5-12,19H2,1-4H3/t13-,15?,16?,17?,18?/m1/s1.
What are the key properties of (2S)-2-amino-N,N-diethyl-2-(3-hydroxy-5,7-dimethyl-1-adamantyl)acetamide?
(2S)-2-amino-N,N-diethyl-2-(3-hydroxy-5,7-dimethyl-1-adamantyl)acetamide has a molecular weight of 308.47 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,N-diethyl-2-(3-hydroxy-5,7-dimethyl-1-adamantyl)acetamide is sourced from PubChem (CID 70881721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).