N-butan-2-yl-2-[3-[2-(butan-2-ylamino)-2-oxoethyl]-1-adamantyl]acetamide

C22H38N2O2 — CID 5221163

IUPACN-butan-2-yl-2-[3-[2-(butan-2-ylamino)-2-oxoethyl]-1-adamantyl]acetamide
SMILESCCC(C)NC(=O)CC12CC3CC(C1)CC(CC(=O)NC(C)CC)(C3)C2
InChIInChI=1S/C22H38N2O2/c1-5-15(3)23-19(25)12-21-8-17-7-18(9-21)11-22(10-17,14-21)13-20(26)24-16(4)6-2/h15-18H,5-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyNPNUTFMKWBAEBC-UHFFFAOYSA-N
MW362.56 g/mol
LogP4.18
Rot. Bonds8

About N-butan-2-yl-2-[3-[2-(butan-2-ylamino)-2-oxoethyl]-1-adamantyl]acetamide

N-butan-2-yl-2-[3-[2-(butan-2-ylamino)-2-oxoethyl]-1-adamantyl]acetamide (PubChem CID 5221163) has the molecular formula C22H38N2O2 and a molecular weight of 362.56 g/mol. Its IUPAC name is N-butan-2-yl-2-[3-[2-(butan-2-ylamino)-2-oxoethyl]-1-adamantyl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[3-[2-(butan-2-ylamino)-2-oxoethyl]-1-adamantyl]acetamide
PubChem CID5221163
Molecular FormulaC22H38N2O2
Molecular Weight362.56 g/mol
Exact Mass362.29
IUPAC NameN-butan-2-yl-2-[3-[2-(butan-2-ylamino)-2-oxoethyl]-1-adamantyl]acetamide
SMILESCCC(C)NC(=O)CC12CC3CC(C1)CC(CC(=O)NC(C)CC)(C3)C2
InChIInChI=1S/C22H38N2O2/c1-5-15(3)23-19(25)12-21-8-17-7-18(9-21)11-22(10-17,14-21)13-20(26)24-16(4)6-2/h15-18H,5-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyNPNUTFMKWBAEBC-UHFFFAOYSA-N
XLogP4.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[3-[2-(butan-2-ylamino)-2-oxoethyl]-1-adamantyl]acetamide?
The IUPAC name of N-butan-2-yl-2-[3-[2-(butan-2-ylamino)-2-oxoethyl]-1-adamantyl]acetamide (CID 5221163) is N-butan-2-yl-2-[3-[2-(butan-2-ylamino)-2-oxoethyl]-1-adamantyl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[3-[2-(butan-2-ylamino)-2-oxoethyl]-1-adamantyl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[3-[2-(butan-2-ylamino)-2-oxoethyl]-1-adamantyl]acetamide is CCC(C)NC(=O)CC12CC3CC(C1)CC(CC(=O)NC(C)CC)(C3)C2.
What is the InChIKey of N-butan-2-yl-2-[3-[2-(butan-2-ylamino)-2-oxoethyl]-1-adamantyl]acetamide?
The InChIKey is NPNUTFMKWBAEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O2/c1-5-15(3)23-19(25)12-21-8-17-7-18(9-21)11-22(10-17,14-21)13-20(26)24-16(4)6-2/h15-18H,5-14H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-butan-2-yl-2-[3-[2-(butan-2-ylamino)-2-oxoethyl]-1-adamantyl]acetamide?
N-butan-2-yl-2-[3-[2-(butan-2-ylamino)-2-oxoethyl]-1-adamantyl]acetamide has a molecular weight of 362.56 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[3-[2-(butan-2-ylamino)-2-oxoethyl]-1-adamantyl]acetamide is sourced from PubChem (CID 5221163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).