3-(1-adamantylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide

C20H34N4O3 — CID 26456984

IUPAC3-(1-adamantylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide
SMILESCC(C)(C)NC(=O)CNC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H34N4O3/c1-19(2,3)23-17(26)12-22-16(25)4-5-21-18(27)24-20-9-13-6-14(10-20)8-15(7-13)11-20/h13-15H,4-12H2,1-3H3,(H,22,25)(H,23,26)(H2,21,24,27)
InChIKeyMVMUTIXDLRXMEV-UHFFFAOYSA-N
MW378.52 g/mol
LogP1.68
Rot. Bonds6

About 3-(1-adamantylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide

3-(1-adamantylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide (PubChem CID 26456984) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-(1-adamantylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(1-adamantylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide
PubChem CID26456984
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC Name3-(1-adamantylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide
SMILESCC(C)(C)NC(=O)CNC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H34N4O3/c1-19(2,3)23-17(26)12-22-16(25)4-5-21-18(27)24-20-9-13-6-14(10-20)8-15(7-13)11-20/h13-15H,4-12H2,1-3H3,(H,22,25)(H,23,26)(H2,21,24,27)
InChIKeyMVMUTIXDLRXMEV-UHFFFAOYSA-N
XLogP1.68
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-(1-adamantylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide (CID 26456984) is 3-(1-adamantylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(1-adamantylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-(1-adamantylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide is CC(C)(C)NC(=O)CNC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide?
The InChIKey is MVMUTIXDLRXMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3/c1-19(2,3)23-17(26)12-22-16(25)4-5-21-18(27)24-20-9-13-6-14(10-20)8-15(7-13)11-20/h13-15H,4-12H2,1-3H3,(H,22,25)(H,23,26)(H2,21,24,27).
What are the key properties of 3-(1-adamantylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide?
3-(1-adamantylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide has a molecular weight of 378.52 g/mol, XLogP of 1.68, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 26456984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).