2-(furan-2-ylmethylamino)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide

C17H26N2O2 — CID 7450814

IUPAC2-(furan-2-ylmethylamino)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCC1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)CNCc1ccco1
InChIInChI=1S/C17H26N2O2/c1-16(2)12-6-7-13(9-12)17(16,3)19-15(20)11-18-10-14-5-4-8-21-14/h4-5,8,12-13,18H,6-7,9-11H2,1-3H3,(H,19,20)/t12-,13+,17-/m1/s1
InChIKeyIRTBVVMYGBERLO-IIYDPXPESA-N
MW290.41 g/mol
LogP2.70
Rot. Bonds5

About 2-(furan-2-ylmethylamino)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide

2-(furan-2-ylmethylamino)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide (PubChem CID 7450814) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
PubChem CID7450814
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(furan-2-ylmethylamino)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCC1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)CNCc1ccco1
InChIInChI=1S/C17H26N2O2/c1-16(2)12-6-7-13(9-12)17(16,3)19-15(20)11-18-10-14-5-4-8-21-14/h4-5,8,12-13,18H,6-7,9-11H2,1-3H3,(H,19,20)/t12-,13+,17-/m1/s1
InChIKeyIRTBVVMYGBERLO-IIYDPXPESA-N
XLogP2.70
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

furan-2-ylmethyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium
CID 7450813
2-(furan-2-ylmethylamino)-N-(2-methylcyclohexyl)acetamide
CID 54773430
N-cyclopentyl-2-(furan-2-ylmethylamino)acetamide
CID 28586516
N-benzyl-2-(furan-2-ylmethylamino)acetamide
CID 43084380
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7450772
N-benzhydryl-2-(furan-2-ylmethylamino)acetamide
CID 1459234
N-[3-[[2-(furan-2-ylmethylamino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54818995
1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62097630
2-(furan-2-ylmethylamino)-N-pentylacetamide
CID 108996263
N-(2-bromophenyl)-2-(furan-2-ylmethylamino)acetamide
CID 2452076
N-[2-(dimethylamino)ethyl]-2-(furan-2-ylmethylamino)acetamide
CID 108994576
N-[4-[[2-(furan-2-ylmethylamino)acetyl]amino]phenyl]butanamide
CID 54818705

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The IUPAC name of 2-(furan-2-ylmethylamino)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide (CID 7450814) is 2-(furan-2-ylmethylamino)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The canonical SMILES for 2-(furan-2-ylmethylamino)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide is CC1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)CNCc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The InChIKey is IRTBVVMYGBERLO-IIYDPXPESA-N. The full InChI is InChI=1S/C17H26N2O2/c1-16(2)12-6-7-13(9-12)17(16,3)19-15(20)11-18-10-14-5-4-8-21-14/h4-5,8,12-13,18H,6-7,9-11H2,1-3H3,(H,19,20)/t12-,13+,17-/m1/s1.
What are the key properties of 2-(furan-2-ylmethylamino)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
2-(furan-2-ylmethylamino)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide is sourced from PubChem (CID 7450814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).