(5R)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide

C18H24N4O2 — CID 124877407

IUPAC(5R)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide
SMILESCc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@@H]1CCc2n[nH]nc2C1
InChIInChI=1S/C18H24N4O2/c1-10-6-12-15(8-18(2,3)9-16(12)24-10)19-17(23)11-4-5-13-14(7-11)21-22-20-13/h6,11,15H,4-5,7-9H2,1-3H3,(H,19,23)(H,20,21,22)/t11-,15-/m1/s1
InChIKeyKHKBJVJSKKGCTQ-IAQYHMDHSA-N
MW328.42 g/mol
LogP2.64
Rot. Bonds2

About (5R)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide

(5R)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide (PubChem CID 124877407) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (5R)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide
PubChem CID124877407
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(5R)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide
SMILESCc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@@H]1CCc2n[nH]nc2C1
InChIInChI=1S/C18H24N4O2/c1-10-6-12-15(8-18(2,3)9-16(12)24-10)19-17(23)11-4-5-13-14(7-11)21-22-20-13/h6,11,15H,4-5,7-9H2,1-3H3,(H,19,23)(H,20,21,22)/t11-,15-/m1/s1
InChIKeyKHKBJVJSKKGCTQ-IAQYHMDHSA-N
XLogP2.64
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5R)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide with MolForge

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Related Compounds

(2R)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-2-carboxamide
CID 104913159
(1S,2S,4S)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98751125
(E)-3-cyclopropyl-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]but-2-enamide
CID 97456167
2,2,2-trifluoro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
CID 62491984
1-(2,4-dimethylphenyl)sulfonyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide
CID 55782556
1-amino-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)cyclobutane-1-carboxamide
CID 81179233
(3R)-1-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]pyrrolidine-1,3-dicarboxamide
CID 94118955
3-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide
CID 64683856
3-ethylsulfanyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propanamide
CID 47248732
(2R)-2-methylsulfonyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide
CID 94004654
1-[4-(trifluoromethyl)benzoyl]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide
CID 55782690
4-bromo-2,5-dimethyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)furan-3-carboxamide
CID 55782819

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide?
The IUPAC name of (5R)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide (CID 124877407) is (5R)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for (5R)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide?
The canonical SMILES for (5R)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide is Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@@H]1CCc2n[nH]nc2C1.
What is the InChIKey of (5R)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide?
The InChIKey is KHKBJVJSKKGCTQ-IAQYHMDHSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-10-6-12-15(8-18(2,3)9-16(12)24-10)19-17(23)11-4-5-13-14(7-11)21-22-20-13/h6,11,15H,4-5,7-9H2,1-3H3,(H,19,23)(H,20,21,22)/t11-,15-/m1/s1.
What are the key properties of (5R)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide?
(5R)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 124877407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).