2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide

C24H37NO — CID 7322047

IUPAC2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H37NO/c1-15(24-11-19-5-20(12-24)7-21(6-19)13-24)25-22(26)14-23-8-16-2-17(9-23)4-18(3-16)10-23/h15-21H,2-14H2,1H3,(H,25,26)/t15-,16?,17?,18?,19?,20?,21?,23?,24?/m1/s1
InChIKeyMARKNSVDHIUVIE-DMNDBZKBSA-N
MW355.57 g/mol
LogP5.31
Rot. Bonds4

About 2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide

2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide (PubChem CID 7322047) has the molecular formula C24H37NO and a molecular weight of 355.57 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
PubChem CID7322047
Molecular FormulaC24H37NO
Molecular Weight355.57 g/mol
Exact Mass355.29
IUPAC Name2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H37NO/c1-15(24-11-19-5-20(12-24)7-21(6-19)13-24)25-22(26)14-23-8-16-2-17(9-23)4-18(3-16)10-23/h15-21H,2-14H2,1H3,(H,25,26)/t15-,16?,17?,18?,19?,20?,21?,23?,24?/m1/s1
InChIKeyMARKNSVDHIUVIE-DMNDBZKBSA-N
XLogP5.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.57
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(1-adamantyl)ethyl]-2-aminoacetamide;hydrochloride
CID 119263793
N-[1-(1-adamantyl)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107019798
2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79030779
N-[1-(1-adamantyl)ethyl]-4-methylpentanamide
CID 112789585
(3S)-3-[[2-(1-adamantyl)acetyl]amino]butanoic acid
CID 51885616
N-[1-(1-adamantyl)ethyl]-3-bromopropanamide
CID 113385110
N-[1-(1-adamantyl)ethyl]-2-(carbamoylamino)acetamide
CID 18168654
2-[(5S,7R)-3-[(1S)-1-acetamidoethyl]-1-adamantyl]acetate
CID 2192991
2-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 115569418
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8771959
N-[(1S)-1-(1-adamantyl)ethyl]-2-cyclopentylsulfanylacetamide
CID 7395653
N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide
CID 7065184

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide (CID 7322047) is 2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide is C[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide?
The InChIKey is MARKNSVDHIUVIE-DMNDBZKBSA-N. The full InChI is InChI=1S/C24H37NO/c1-15(24-11-19-5-20(12-24)7-21(6-19)13-24)25-22(26)14-23-8-16-2-17(9-23)4-18(3-16)10-23/h15-21H,2-14H2,1H3,(H,25,26)/t15-,16?,17?,18?,19?,20?,21?,23?,24?/m1/s1.
What are the key properties of 2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide?
2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide has a molecular weight of 355.57 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide is sourced from PubChem (CID 7322047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).