3,5,7-trimethyl-N-prop-2-enyladamantane-1-carboxamide

C17H27NO — CID 2885888

IUPAC3,5,7-trimethyl-N-prop-2-enyladamantane-1-carboxamide
SMILESC=CCNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C17H27NO/c1-5-6-18-13(19)17-10-14(2)7-15(3,11-17)9-16(4,8-14)12-17/h5H,1,6-12H2,2-4H3,(H,18,19)
InChIKeyGKROSZKKULVOCT-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.68
Rot. Bonds3

About 3,5,7-trimethyl-N-prop-2-enyladamantane-1-carboxamide

3,5,7-trimethyl-N-prop-2-enyladamantane-1-carboxamide (PubChem CID 2885888) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3,5,7-trimethyl-N-prop-2-enyladamantane-1-carboxamide.

Molecular Properties

Compound Name3,5,7-trimethyl-N-prop-2-enyladamantane-1-carboxamide
PubChem CID2885888
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3,5,7-trimethyl-N-prop-2-enyladamantane-1-carboxamide
SMILESC=CCNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C17H27NO/c1-5-6-18-13(19)17-10-14(2)7-15(3,11-17)9-16(4,8-14)12-17/h5H,1,6-12H2,2-4H3,(H,18,19)
InChIKeyGKROSZKKULVOCT-UHFFFAOYSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Adamantan-1-yl-N-decyl-acetamide
CID 11382033
2,2'-tricyclo[3.3.1.1~3,7~]decane-1,3-diylbis(N-allylacetamide)
CID 2955042
(9Z,12Z)-N-[1-(1-adamantyl)ethyl]octadeca-9,12-dienamide
CID 162645858
N-[(3S)-3,7-dimethyloct-6-enyl]adamantane-1-carboxamide
CID 162652941
N-[(2E)-3,7-dimethylocta-2,6-dienyl]adamantane-1-carboxamide
CID 162653724
N-butyladamantane-1-carboxamide
CID 585486
N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]adamantane-1-carboxamide
CID 162644659
N-[(2Z)-3,7-dimethylocta-2,6-dienyl]adamantane-1-carboxamide
CID 162656359
N-(3,7-dimethyloctyl)adamantane-1-carboxamide
CID 162672826
Cambridge id 5533928
CID 331260
N,N'-diallyl-1,3-adamantanedicarboxamide
CID 2210330
3,5,7-trimethyl-N-propyl-1-adamantanecarboxamide
CID 2886178

Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethyl-N-prop-2-enyladamantane-1-carboxamide?
The IUPAC name of 3,5,7-trimethyl-N-prop-2-enyladamantane-1-carboxamide (CID 2885888) is 3,5,7-trimethyl-N-prop-2-enyladamantane-1-carboxamide.
What is the SMILES notation for 3,5,7-trimethyl-N-prop-2-enyladamantane-1-carboxamide?
The canonical SMILES for 3,5,7-trimethyl-N-prop-2-enyladamantane-1-carboxamide is C=CCNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of 3,5,7-trimethyl-N-prop-2-enyladamantane-1-carboxamide?
The InChIKey is GKROSZKKULVOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-6-18-13(19)17-10-14(2)7-15(3,11-17)9-16(4,8-14)12-17/h5H,1,6-12H2,2-4H3,(H,18,19).
What are the key properties of 3,5,7-trimethyl-N-prop-2-enyladamantane-1-carboxamide?
3,5,7-trimethyl-N-prop-2-enyladamantane-1-carboxamide has a molecular weight of 261.41 g/mol, XLogP of 3.68, 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-prop-2-enyladamantane-1-carboxamide is sourced from PubChem (CID 2885888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).