N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]adamantane-1-carboxamide

C21H33NO — CID 162659483

IUPACN-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]adamantane-1-carboxamide
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)C13CC4CC(CC(C4)C1)C3)C2
InChIInChI=1S/C21H33NO/c1-19(2)16-4-5-20(19,3)17(9-16)22-18(23)21-10-13-6-14(11-21)8-15(7-13)12-21/h13-17H,4-12H2,1-3H3,(H,22,23)/t13?,14?,15?,16-,17-,20+,21?/m1/s1
InChIKeyKJWQACXNDVRKCA-RTMLGLBBSA-N
MW315.50 g/mol
LogP4.53
Rot. Bonds2

About N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]adamantane-1-carboxamide

N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]adamantane-1-carboxamide (PubChem CID 162659483) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]adamantane-1-carboxamide
PubChem CID162659483
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC NameN-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]adamantane-1-carboxamide
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)C13CC4CC(CC(C4)C1)C3)C2
InChIInChI=1S/C21H33NO/c1-19(2)16-4-5-20(19,3)17(9-16)22-18(23)21-10-13-6-14(11-21)8-15(7-13)12-21/h13-17H,4-12H2,1-3H3,(H,22,23)/t13?,14?,15?,16-,17-,20+,21?/m1/s1
InChIKeyKJWQACXNDVRKCA-RTMLGLBBSA-N
XLogP4.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]adamantane-1-carboxamide with MolForge

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Related Compounds

1-(aminomethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclobutane-1-carboxamide
CID 115447542
2-bromo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 102074730
N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide
CID 3824523
1-[(1S,2R)-2-methylcyclopropyl]-3-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
CID 124858894
N-[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide
CID 2795155
2-amino-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride
CID 119264698
(2S)-2-hydroxy-3-methyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide
CID 72947063
4-oxo-4-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butanoic acid
CID 906419
(2R)-2-methoxy-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
CID 124865100
4-oxo-4-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butanoate
CID 40569957
dimethyl-[3-oxo-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propyl]azanium
CID 23350702
dimethyl-[3-oxo-3-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propyl]azanium
CID 7376088

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]adamantane-1-carboxamide?
The IUPAC name of N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]adamantane-1-carboxamide (CID 162659483) is N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]adamantane-1-carboxamide?
The canonical SMILES for N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]adamantane-1-carboxamide is CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)C13CC4CC(CC(C4)C1)C3)C2.
What is the InChIKey of N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]adamantane-1-carboxamide?
The InChIKey is KJWQACXNDVRKCA-RTMLGLBBSA-N. The full InChI is InChI=1S/C21H33NO/c1-19(2)16-4-5-20(19,3)17(9-16)22-18(23)21-10-13-6-14(11-21)8-15(7-13)12-21/h13-17H,4-12H2,1-3H3,(H,22,23)/t13?,14?,15?,16-,17-,20+,21?/m1/s1.
What are the key properties of N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]adamantane-1-carboxamide?
N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]adamantane-1-carboxamide has a molecular weight of 315.50 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]adamantane-1-carboxamide is sourced from PubChem (CID 162659483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).