N-[1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide

C21H33N3O — CID 118766473

IUPACN-[1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide
SMILESCCc1nccn1CCC(=O)NC(C)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H33N3O/c1-3-19-22-5-7-24(19)6-4-20(25)23-15(2)11-21-12-16-8-17(13-21)10-18(9-16)14-21/h5,7,15-18H,3-4,6,8-14H2,1-2H3,(H,23,25)
InChIKeyFDVNBXKGLNXJOW-UHFFFAOYSA-N
MW343.52 g/mol
LogP3.95
Rot. Bonds7

About N-[1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide

N-[1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide (PubChem CID 118766473) has the molecular formula C21H33N3O and a molecular weight of 343.52 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide
PubChem CID118766473
Molecular FormulaC21H33N3O
Molecular Weight343.52 g/mol
Exact Mass343.26
IUPAC NameN-[1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide
SMILESCCc1nccn1CCC(=O)NC(C)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H33N3O/c1-3-19-22-5-7-24(19)6-4-20(25)23-15(2)11-21-12-16-8-17(13-21)10-18(9-16)14-21/h5,7,15-18H,3-4,6,8-14H2,1-2H3,(H,23,25)
InChIKeyFDVNBXKGLNXJOW-UHFFFAOYSA-N
XLogP3.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide?
The IUPAC name of N-[1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide (CID 118766473) is N-[1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide?
The canonical SMILES for N-[1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide is CCc1nccn1CCC(=O)NC(C)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide?
The InChIKey is FDVNBXKGLNXJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-3-19-22-5-7-24(19)6-4-20(25)23-15(2)11-21-12-16-8-17(13-21)10-18(9-16)14-21/h5,7,15-18H,3-4,6,8-14H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide?
N-[1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide has a molecular weight of 343.52 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide is sourced from PubChem (CID 118766473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).