N-[(2R,7R,11R,12S)-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide

C16H23NO — CID 98043818

IUPACN-[(2R,7R,11R,12S)-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide
SMILESCC(=O)NC12CC3C[C@@H]4C5CC(C[C@H]41)C[C@H]2[C@@H]5C3
InChIInChI=1S/C16H23NO/c1-8(18)17-16-7-10-3-12-11-2-9(5-14(12)16)6-15(16)13(11)4-10/h9-15H,2-7H2,1H3,(H,17,18)/t9?,10?,11?,12-,13-,14-,15+,16?/m1/s1
InChIKeyXADNPTMHMQGTJZ-NEQHUBMPSA-N
MW245.37 g/mol
LogP2.58
Rot. Bonds1

About N-[(2R,7R,11R,12S)-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide

N-[(2R,7R,11R,12S)-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide (PubChem CID 98043818) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[(2R,7R,11R,12S)-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide.

Molecular Properties

Compound NameN-[(2R,7R,11R,12S)-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide
PubChem CID98043818
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[(2R,7R,11R,12S)-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide
SMILESCC(=O)NC12CC3C[C@@H]4C5CC(C[C@H]41)C[C@H]2[C@@H]5C3
InChIInChI=1S/C16H23NO/c1-8(18)17-16-7-10-3-12-11-2-9(5-14(12)16)6-15(16)13(11)4-10/h9-15H,2-7H2,1H3,(H,17,18)/t9?,10?,11?,12-,13-,14-,15+,16?/m1/s1
InChIKeyXADNPTMHMQGTJZ-NEQHUBMPSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2R,7R,11R,12S)-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide with MolForge

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Related Compounds

(7S,11R)-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1-thiol
CID 102184392
1-fluoropentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 13046553
N-(3-acetamido-1-adamantyl)acetamide
CID 2817797
N-(4-hydroxy-1-adamantyl)acetamide
CID 14948121
N-[(3S,5R)-4-methyl-1-adamantyl]acetamide
CID 11896190
1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl nitrate
CID 59188239
2-acetamidoadamantane-2-carboxylic acid
CID 15322577
1-(1-adamantyl)-3-(dimethyl-λ4-sulfanylidene)urea
CID 176801954
N'-(1-adamantyl)acetohydrazide
CID 57252172
N-[2-(aminomethyl)-2-adamantyl]acetamide
CID 154304517
N-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide
CID 98051722
N-(3-hydroxy-1-adamantyl)acetamide
CID 2842792

Frequently Asked Questions

What is the IUPAC name of N-[(2R,7R,11R,12S)-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide?
The IUPAC name of N-[(2R,7R,11R,12S)-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide (CID 98043818) is N-[(2R,7R,11R,12S)-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide.
What is the SMILES notation for N-[(2R,7R,11R,12S)-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide?
The canonical SMILES for N-[(2R,7R,11R,12S)-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide is CC(=O)NC12CC3C[C@@H]4C5CC(C[C@H]41)C[C@H]2[C@@H]5C3.
What is the InChIKey of N-[(2R,7R,11R,12S)-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide?
The InChIKey is XADNPTMHMQGTJZ-NEQHUBMPSA-N. The full InChI is InChI=1S/C16H23NO/c1-8(18)17-16-7-10-3-12-11-2-9(5-14(12)16)6-15(16)13(11)4-10/h9-15H,2-7H2,1H3,(H,17,18)/t9?,10?,11?,12-,13-,14-,15+,16?/m1/s1.
What are the key properties of N-[(2R,7R,11R,12S)-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide?
N-[(2R,7R,11R,12S)-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide has a molecular weight of 245.37 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,7R,11R,12S)-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide is sourced from PubChem (CID 98043818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).