(4Z)-4-(carbamoylhydrazinylidene)-N,3,6,6-tetramethyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-1-benzofuran-2-carboxamide

C20H31N5O3 — CID 18835705

IUPAC(4Z)-4-(carbamoylhydrazinylidene)-N,3,6,6-tetramethyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1/C(=N\NC(N)=O)CC(C)(C)C2
InChIInChI=1S/C20H31N5O3/c1-12-16-14(22-23-19(21)27)10-20(2,3)11-15(16)28-17(12)18(26)25(5)13-6-8-24(4)9-7-13/h13H,6-11H2,1-5H3,(H3,21,23,27)/b22-14-
InChIKeyVTECBONPEHAMAY-HMAPJEAMSA-N
MW389.50 g/mol
LogP2.10
Rot. Bonds3

About (4Z)-4-(carbamoylhydrazinylidene)-N,3,6,6-tetramethyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-1-benzofuran-2-carboxamide

(4Z)-4-(carbamoylhydrazinylidene)-N,3,6,6-tetramethyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-1-benzofuran-2-carboxamide (PubChem CID 18835705) has the molecular formula C20H31N5O3 and a molecular weight of 389.50 g/mol. Its IUPAC name is (4Z)-4-(carbamoylhydrazinylidene)-N,3,6,6-tetramethyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(4Z)-4-(carbamoylhydrazinylidene)-N,3,6,6-tetramethyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-1-benzofuran-2-carboxamide
PubChem CID18835705
Molecular FormulaC20H31N5O3
Molecular Weight389.50 g/mol
Exact Mass389.24
IUPAC Name(4Z)-4-(carbamoylhydrazinylidene)-N,3,6,6-tetramethyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1/C(=N\NC(N)=O)CC(C)(C)C2
InChIInChI=1S/C20H31N5O3/c1-12-16-14(22-23-19(21)27)10-20(2,3)11-15(16)28-17(12)18(26)25(5)13-6-8-24(4)9-7-13/h13H,6-11H2,1-5H3,(H3,21,23,27)/b22-14-
InChIKeyVTECBONPEHAMAY-HMAPJEAMSA-N
XLogP2.10
TPSA104.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(carbamoylhydrazinylidene)-N,3,6,6-tetramethyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (4Z)-4-(carbamoylhydrazinylidene)-N,3,6,6-tetramethyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-1-benzofuran-2-carboxamide (CID 18835705) is (4Z)-4-(carbamoylhydrazinylidene)-N,3,6,6-tetramethyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (4Z)-4-(carbamoylhydrazinylidene)-N,3,6,6-tetramethyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (4Z)-4-(carbamoylhydrazinylidene)-N,3,6,6-tetramethyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1/C(=N\NC(N)=O)CC(C)(C)C2.
What is the InChIKey of (4Z)-4-(carbamoylhydrazinylidene)-N,3,6,6-tetramethyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is VTECBONPEHAMAY-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H31N5O3/c1-12-16-14(22-23-19(21)27)10-20(2,3)11-15(16)28-17(12)18(26)25(5)13-6-8-24(4)9-7-13/h13H,6-11H2,1-5H3,(H3,21,23,27)/b22-14-.
What are the key properties of (4Z)-4-(carbamoylhydrazinylidene)-N,3,6,6-tetramethyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-1-benzofuran-2-carboxamide?
(4Z)-4-(carbamoylhydrazinylidene)-N,3,6,6-tetramethyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(carbamoylhydrazinylidene)-N,3,6,6-tetramethyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18835705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).