N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]adamantane-1-carboxamide

C19H31N3O3 — CID 18118534

IUPACN-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H31N3O3/c1-18(2,3)22-16(24)11-20-15(23)10-21-17(25)19-7-12-4-13(8-19)6-14(5-12)9-19/h12-14H,4-11H2,1-3H3,(H,20,23)(H,21,25)(H,22,24)
InChIKeyGDCVJXGLCPZXNC-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.35
Rot. Bonds5

About N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]adamantane-1-carboxamide

N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 18118534) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID18118534
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC NameN-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H31N3O3/c1-18(2,3)22-16(24)11-20-15(23)10-21-17(25)19-7-12-4-13(8-19)6-14(5-12)9-19/h12-14H,4-11H2,1-3H3,(H,20,23)(H,21,25)(H,22,24)
InChIKeyGDCVJXGLCPZXNC-UHFFFAOYSA-N
XLogP1.35
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(tert-butylamino)-3-oxopropyl]adamantane-1-carboxamide
CID 51175569
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide
CID 24550355
[2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3667781
N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]adamantane-1-carboxamide
CID 18106489
N-(2-amino-2-sulfanylideneethyl)adamantane-1-carboxamide
CID 61126891
N-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]adamantane-1-carboxamide
CID 55865333
N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]adamantane-1-carboxamide
CID 31340572
N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 18111449
N-[2-oxo-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]adamantane-1-carboxamide
CID 51122491
N-(1-bromo-2-methylpropan-2-yl)adamantane-1-carboxamide
CID 114307951
ethyl 4-[2-(adamantane-1-carbonylamino)acetyl]piperazine-1-carboxylate
CID 3971663
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]adamantane-1-carboxamide
CID 75361888

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]adamantane-1-carboxamide (CID 18118534) is N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]adamantane-1-carboxamide is CC(C)(C)NC(=O)CNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is GDCVJXGLCPZXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-18(2,3)22-16(24)11-20-15(23)10-21-17(25)19-7-12-4-13(8-19)6-14(5-12)9-19/h12-14H,4-11H2,1-3H3,(H,20,23)(H,21,25)(H,22,24).
What are the key properties of N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]adamantane-1-carboxamide?
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 18118534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).