3,5,7-trimethyl-N-propyladamantane-1-carboxamide

C17H29NO — CID 2886178

IUPAC3,5,7-trimethyl-N-propyladamantane-1-carboxamide
SMILESCCCNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C17H29NO/c1-5-6-18-13(19)17-10-14(2)7-15(3,11-17)9-16(4,8-14)12-17/h5-12H2,1-4H3,(H,18,19)
InChIKeyLLQJCZMGRGBONX-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.90
Rot. Bonds3

About 3,5,7-trimethyl-N-propyladamantane-1-carboxamide

3,5,7-trimethyl-N-propyladamantane-1-carboxamide (PubChem CID 2886178) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 3,5,7-trimethyl-N-propyladamantane-1-carboxamide.

Molecular Properties

Compound Name3,5,7-trimethyl-N-propyladamantane-1-carboxamide
PubChem CID2886178
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name3,5,7-trimethyl-N-propyladamantane-1-carboxamide
SMILESCCCNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C17H29NO/c1-5-6-18-13(19)17-10-14(2)7-15(3,11-17)9-16(4,8-14)12-17/h5-12H2,1-4H3,(H,18,19)
InChIKeyLLQJCZMGRGBONX-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethyl-N-propyladamantane-1-carboxamide?
The IUPAC name of 3,5,7-trimethyl-N-propyladamantane-1-carboxamide (CID 2886178) is 3,5,7-trimethyl-N-propyladamantane-1-carboxamide.
What is the SMILES notation for 3,5,7-trimethyl-N-propyladamantane-1-carboxamide?
The canonical SMILES for 3,5,7-trimethyl-N-propyladamantane-1-carboxamide is CCCNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of 3,5,7-trimethyl-N-propyladamantane-1-carboxamide?
The InChIKey is LLQJCZMGRGBONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-6-18-13(19)17-10-14(2)7-15(3,11-17)9-16(4,8-14)12-17/h5-12H2,1-4H3,(H,18,19).
What are the key properties of 3,5,7-trimethyl-N-propyladamantane-1-carboxamide?
3,5,7-trimethyl-N-propyladamantane-1-carboxamide has a molecular weight of 263.42 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethyl-N-propyladamantane-1-carboxamide is sourced from PubChem (CID 2886178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).