(2S)-2-(1-adamantyl)-2-amino-N-[(1S)-1-cyanoethyl]acetamide

C15H23N3O — CID 23645892

IUPAC(2S)-2-(1-adamantyl)-2-amino-N-[(1S)-1-cyanoethyl]acetamide
SMILESC[C@@H](C#N)NC(=O)[C@@H](N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23N3O/c1-9(8-16)18-14(19)13(17)15-5-10-2-11(6-15)4-12(3-10)7-15/h9-13H,2-7,17H2,1H3,(H,18,19)/t9-,10?,11?,12?,13+,15?/m0/s1
InChIKeyVYJCLNTYSDMSRS-DNXSLQQOSA-N
MW261.37 g/mol
LogP1.56
Rot. Bonds3

About (2S)-2-(1-adamantyl)-2-amino-N-[(1S)-1-cyanoethyl]acetamide

(2S)-2-(1-adamantyl)-2-amino-N-[(1S)-1-cyanoethyl]acetamide (PubChem CID 23645892) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (2S)-2-(1-adamantyl)-2-amino-N-[(1S)-1-cyanoethyl]acetamide.

Molecular Properties

Compound Name(2S)-2-(1-adamantyl)-2-amino-N-[(1S)-1-cyanoethyl]acetamide
PubChem CID23645892
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(2S)-2-(1-adamantyl)-2-amino-N-[(1S)-1-cyanoethyl]acetamide
SMILESC[C@@H](C#N)NC(=O)[C@@H](N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23N3O/c1-9(8-16)18-14(19)13(17)15-5-10-2-11(6-15)4-12(3-10)7-15/h9-13H,2-7,17H2,1H3,(H,18,19)/t9-,10?,11?,12?,13+,15?/m0/s1
InChIKeyVYJCLNTYSDMSRS-DNXSLQQOSA-N
XLogP1.56
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tricyclo(3.3.1.13,7)decane-1-carboxamide, N-(2-(diethylamino)ethyl)-, hydrochloride (1:1)
CID 212874
(2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)-N-methylacetamide
CID 23645895
(alphaS)-alpha-Amino-N-(cyanomethyl)-N-ethyltricyclo[3.3.1.13,7]decane-1-acetamide
CID 23645896
(2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)-N-cyclopropylacetamide
CID 23645899
Adamantan-1-yl-piperazin-1-yl-methanone
CID 17233943
N-[(3S)-2-oxoazepan-3-yl]adamantane-1-carboxamide
CID 11659300
(2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)-N-propylacetamide
CID 23645897
2-(1-adamantyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 11551248
N-[(3R)-2-oxoazepan-3-yl]adamantane-1-carboxamide
CID 44157844
2-(1-adamantyl)-N-cyclopropylacetamide
CID 5116038
N-[2-(diethylamino)ethyl]-3,5-dimethyl-1-adamantanecarboxamide hydrochloride
CID 2850702
Cambridge id 5561203
CID 2852753

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-adamantyl)-2-amino-N-[(1S)-1-cyanoethyl]acetamide?
The IUPAC name of (2S)-2-(1-adamantyl)-2-amino-N-[(1S)-1-cyanoethyl]acetamide (CID 23645892) is (2S)-2-(1-adamantyl)-2-amino-N-[(1S)-1-cyanoethyl]acetamide.
What is the SMILES notation for (2S)-2-(1-adamantyl)-2-amino-N-[(1S)-1-cyanoethyl]acetamide?
The canonical SMILES for (2S)-2-(1-adamantyl)-2-amino-N-[(1S)-1-cyanoethyl]acetamide is C[C@@H](C#N)NC(=O)[C@@H](N)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2S)-2-(1-adamantyl)-2-amino-N-[(1S)-1-cyanoethyl]acetamide?
The InChIKey is VYJCLNTYSDMSRS-DNXSLQQOSA-N. The full InChI is InChI=1S/C15H23N3O/c1-9(8-16)18-14(19)13(17)15-5-10-2-11(6-15)4-12(3-10)7-15/h9-13H,2-7,17H2,1H3,(H,18,19)/t9-,10?,11?,12?,13+,15?/m0/s1.
What are the key properties of (2S)-2-(1-adamantyl)-2-amino-N-[(1S)-1-cyanoethyl]acetamide?
(2S)-2-(1-adamantyl)-2-amino-N-[(1S)-1-cyanoethyl]acetamide has a molecular weight of 261.37 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-adamantyl)-2-amino-N-[(1S)-1-cyanoethyl]acetamide is sourced from PubChem (CID 23645892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).