N-[3-(tert-butylamino)-3-oxopropyl]adamantane-1-carboxamide

C18H30N2O2 — CID 51175569

IUPACN-[3-(tert-butylamino)-3-oxopropyl]adamantane-1-carboxamide
SMILESCC(C)(C)NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30N2O2/c1-17(2,3)20-15(21)4-5-19-16(22)18-9-12-6-13(10-18)8-14(7-12)11-18/h12-14H,4-11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyQGZOZFBJBRAWJE-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.62
Rot. Bonds4

About N-[3-(tert-butylamino)-3-oxopropyl]adamantane-1-carboxamide

N-[3-(tert-butylamino)-3-oxopropyl]adamantane-1-carboxamide (PubChem CID 51175569) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[3-(tert-butylamino)-3-oxopropyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(tert-butylamino)-3-oxopropyl]adamantane-1-carboxamide
PubChem CID51175569
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-[3-(tert-butylamino)-3-oxopropyl]adamantane-1-carboxamide
SMILESCC(C)(C)NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30N2O2/c1-17(2,3)20-15(21)4-5-19-16(22)18-9-12-6-13(10-18)8-14(7-12)11-18/h12-14H,4-11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyQGZOZFBJBRAWJE-UHFFFAOYSA-N
XLogP2.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 18118534
N-[3-[2-(diethylamino)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 30550443
N-[3-[3-(2-methoxyethoxy)propylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 55407932
2-tert-butylsulfanylethyl 3-(adamantane-1-carbonylamino)propanoate
CID 86944040
N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide
CID 3041449
N-(3-amino-3-hydroxyiminopropyl)adamantane-1-carboxamide
CID 76952741
N-[3-(tert-butylamino)-3-oxopropyl]-1-cyanocyclobutane-1-carboxamide
CID 112692116
N-[3-(tert-butylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 71942014
2-(adamantane-1-carbonylamino)ethyl-diethylazanium
CID 4997383
N-[3-(2-ethylanilino)-3-oxopropyl]adamantane-1-carboxamide
CID 8570754
N-(3-aminopropyl)adamantane-1-carboxamide
CID 3117359
N-[3-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 31835828

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylamino)-3-oxopropyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-(tert-butylamino)-3-oxopropyl]adamantane-1-carboxamide (CID 51175569) is N-[3-(tert-butylamino)-3-oxopropyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-(tert-butylamino)-3-oxopropyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-(tert-butylamino)-3-oxopropyl]adamantane-1-carboxamide is CC(C)(C)NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[3-(tert-butylamino)-3-oxopropyl]adamantane-1-carboxamide?
The InChIKey is QGZOZFBJBRAWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-17(2,3)20-15(21)4-5-19-16(22)18-9-12-6-13(10-18)8-14(7-12)11-18/h12-14H,4-11H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-(tert-butylamino)-3-oxopropyl]adamantane-1-carboxamide?
N-[3-(tert-butylamino)-3-oxopropyl]adamantane-1-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylamino)-3-oxopropyl]adamantane-1-carboxamide is sourced from PubChem (CID 51175569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).