N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide

C20H34N2O2 — CID 51175307

IUPACN-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
SMILESCCC(C)NC(=O)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C
InChIInChI=1S/C20H34N2O2/c1-5-13(4)21-18(23)17(12(2)3)22-19(24)20-9-14-6-15(10-20)8-16(7-14)11-20/h12-17H,5-11H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyYOIHONUWQLYHAR-UHFFFAOYSA-N
MW334.50 g/mol
LogP3.26
Rot. Bonds6

About N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide

N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide (PubChem CID 51175307) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
PubChem CID51175307
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC NameN-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
SMILESCCC(C)NC(=O)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C
InChIInChI=1S/C20H34N2O2/c1-5-13(4)21-18(23)17(12(2)3)22-19(24)20-9-14-6-15(10-20)8-16(7-14)11-20/h12-17H,5-11H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyYOIHONUWQLYHAR-UHFFFAOYSA-N
XLogP3.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide (CID 51175307) is N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide is CCC(C)NC(=O)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C.
What is the InChIKey of N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide?
The InChIKey is YOIHONUWQLYHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-5-13(4)21-18(23)17(12(2)3)22-19(24)20-9-14-6-15(10-20)8-16(7-14)11-20/h12-17H,5-11H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide?
N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide has a molecular weight of 334.50 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 51175307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).