N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide

C18H30N2O2 — CID 52532906

IUPACN-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide
SMILESC[C@H](NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)NC(C)(C)C
InChIInChI=1S/C18H30N2O2/c1-10(16(21)20-18(2,3)4)19-17(22)15-13-6-11-5-12(8-13)9-14(15)7-11/h10-15H,5-9H2,1-4H3,(H,19,22)(H,20,21)/t10-,11?,12?,13?,14?,15?/m0/s1
InChIKeyBXQPQNBOIKYFKZ-GFSREQAASA-N
MW306.45 g/mol
LogP2.48
Rot. Bonds3

About N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide

N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide (PubChem CID 52532906) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide
PubChem CID52532906
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide
SMILESC[C@H](NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)NC(C)(C)C
InChIInChI=1S/C18H30N2O2/c1-10(16(21)20-18(2,3)4)19-17(22)15-13-6-11-5-12(8-13)9-14(15)7-11/h10-15H,5-9H2,1-4H3,(H,19,22)(H,20,21)/t10-,11?,12?,13?,14?,15?/m0/s1
InChIKeyBXQPQNBOIKYFKZ-GFSREQAASA-N
XLogP2.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-2-oxoazepan-3-yl]adamantane-1-carboxamide
CID 11659300
N-[(3R)-2-oxoazepan-3-yl]adamantane-1-carboxamide
CID 44157844
2-(1-adamantyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 11551248
N-[1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide;hydrochloride
CID 6603536
(S)-2-(2-Adamantan-1-yl-acetylamino)-N-{3-[4-(3-amino-propylamino)-butylamino]-propyl}-3-cyclohexyl-propionamide
CID 49788806
N-hydroxy-2-[(5'S)-5'-methyl-2',6'-dioxospiro[adamantane-2,3'-piperazine]-1'-yl]acetamide
CID 56659534
2-(1-adamantyl)-N-[(2S)-1-[(6S)-6-methyl-2,3-dioxopiperazin-1-yl]propan-2-yl]acetamide
CID 24856211
N-(3,7-dimethyloctyl)adamantane-2-carboxamide
CID 162661126
N-{1-[(2,3-dimethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl}cyclohexanecarboxamide
CID 3501377
(2R)-N'-(1-adamantyl)-2-[[(2S)-2-aminopropanoyl]amino]pentanediamide
CID 6917830
N-[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide
CID 3221028
(3r,5r,7r)-N-(1-((2-(dimethylamino)ethyl)amino)-1-oxopropan-2-yl)adamantane-1-carboxamide
CID 3236105

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide?
The IUPAC name of N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide (CID 52532906) is N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide is C[C@H](NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)NC(C)(C)C.
What is the InChIKey of N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide?
The InChIKey is BXQPQNBOIKYFKZ-GFSREQAASA-N. The full InChI is InChI=1S/C18H30N2O2/c1-10(16(21)20-18(2,3)4)19-17(22)15-13-6-11-5-12(8-13)9-14(15)7-11/h10-15H,5-9H2,1-4H3,(H,19,22)(H,20,21)/t10-,11?,12?,13?,14?,15?/m0/s1.
What are the key properties of N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide?
N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide is sourced from PubChem (CID 52532906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).