N-amino-N-[(7R,9R,10R,11R)-3-hydroxy-9-methoxy-5,7,9,10,11,13-hexamethyl-6,12-dioxo-oxacyclotetradec-4-yl]formamide

C21H38N2O6 — CID 143417697

IUPACN-amino-N-[(7R,9R,10R,11R)-3-hydroxy-9-methoxy-5,7,9,10,11,13-hexamethyl-6,12-dioxo-oxacyclotetradec-4-yl]formamide
SMILESCO[C@]1(C)C[C@@H](C)C(=O)C(C)C(N(N)C=O)C(O)COCC(C)C(=O)[C@H](C)[C@H]1C
InChIInChI=1S/C21H38N2O6/c1-12-8-21(6,28-7)16(5)14(3)20(27)13(2)9-29-10-17(25)18(23(22)11-24)15(4)19(12)26/h11-18,25H,8-10,22H2,1-7H3/t12-,13?,14-,15?,16-,17?,18?,21-/m1/s1
InChIKeyNGMTWPDWOFLPOU-MPNYJXDUSA-N
MW414.54 g/mol
LogP1.19
Rot. Bonds3

About N-amino-N-[(7R,9R,10R,11R)-3-hydroxy-9-methoxy-5,7,9,10,11,13-hexamethyl-6,12-dioxo-oxacyclotetradec-4-yl]formamide

N-amino-N-[(7R,9R,10R,11R)-3-hydroxy-9-methoxy-5,7,9,10,11,13-hexamethyl-6,12-dioxo-oxacyclotetradec-4-yl]formamide (PubChem CID 143417697) has the molecular formula C21H38N2O6 and a molecular weight of 414.54 g/mol. Its IUPAC name is N-amino-N-[(7R,9R,10R,11R)-3-hydroxy-9-methoxy-5,7,9,10,11,13-hexamethyl-6,12-dioxo-oxacyclotetradec-4-yl]formamide.

Molecular Properties

Compound NameN-amino-N-[(7R,9R,10R,11R)-3-hydroxy-9-methoxy-5,7,9,10,11,13-hexamethyl-6,12-dioxo-oxacyclotetradec-4-yl]formamide
PubChem CID143417697
Molecular FormulaC21H38N2O6
Molecular Weight414.54 g/mol
Exact Mass414.27
IUPAC NameN-amino-N-[(7R,9R,10R,11R)-3-hydroxy-9-methoxy-5,7,9,10,11,13-hexamethyl-6,12-dioxo-oxacyclotetradec-4-yl]formamide
SMILESCO[C@]1(C)C[C@@H](C)C(=O)C(C)C(N(N)C=O)C(O)COCC(C)C(=O)[C@H](C)[C@H]1C
InChIInChI=1S/C21H38N2O6/c1-12-8-21(6,28-7)16(5)14(3)20(27)13(2)9-29-10-17(25)18(23(22)11-24)15(4)19(12)26/h11-18,25H,8-10,22H2,1-7H3/t12-,13?,14-,15?,16-,17?,18?,21-/m1/s1
InChIKeyNGMTWPDWOFLPOU-MPNYJXDUSA-N
XLogP1.19
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.54
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-amino-N-[(7R,9R,10R,11R)-3-hydroxy-9-methoxy-5,7,9,10,11,13-hexamethyl-6,12-dioxo-oxacyclotetradec-4-yl]formamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-amino-N-[(7R,9R,10R,11R)-3-hydroxy-9-methoxy-5,7,9,10,11,13-hexamethyl-6,12-dioxo-oxacyclotetradec-4-yl]formamide?
The IUPAC name of N-amino-N-[(7R,9R,10R,11R)-3-hydroxy-9-methoxy-5,7,9,10,11,13-hexamethyl-6,12-dioxo-oxacyclotetradec-4-yl]formamide (CID 143417697) is N-amino-N-[(7R,9R,10R,11R)-3-hydroxy-9-methoxy-5,7,9,10,11,13-hexamethyl-6,12-dioxo-oxacyclotetradec-4-yl]formamide.
What is the SMILES notation for N-amino-N-[(7R,9R,10R,11R)-3-hydroxy-9-methoxy-5,7,9,10,11,13-hexamethyl-6,12-dioxo-oxacyclotetradec-4-yl]formamide?
The canonical SMILES for N-amino-N-[(7R,9R,10R,11R)-3-hydroxy-9-methoxy-5,7,9,10,11,13-hexamethyl-6,12-dioxo-oxacyclotetradec-4-yl]formamide is CO[C@]1(C)C[C@@H](C)C(=O)C(C)C(N(N)C=O)C(O)COCC(C)C(=O)[C@H](C)[C@H]1C.
What is the InChIKey of N-amino-N-[(7R,9R,10R,11R)-3-hydroxy-9-methoxy-5,7,9,10,11,13-hexamethyl-6,12-dioxo-oxacyclotetradec-4-yl]formamide?
The InChIKey is NGMTWPDWOFLPOU-MPNYJXDUSA-N. The full InChI is InChI=1S/C21H38N2O6/c1-12-8-21(6,28-7)16(5)14(3)20(27)13(2)9-29-10-17(25)18(23(22)11-24)15(4)19(12)26/h11-18,25H,8-10,22H2,1-7H3/t12-,13?,14-,15?,16-,17?,18?,21-/m1/s1.
What are the key properties of N-amino-N-[(7R,9R,10R,11R)-3-hydroxy-9-methoxy-5,7,9,10,11,13-hexamethyl-6,12-dioxo-oxacyclotetradec-4-yl]formamide?
N-amino-N-[(7R,9R,10R,11R)-3-hydroxy-9-methoxy-5,7,9,10,11,13-hexamethyl-6,12-dioxo-oxacyclotetradec-4-yl]formamide has a molecular weight of 414.54 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-[(7R,9R,10R,11R)-3-hydroxy-9-methoxy-5,7,9,10,11,13-hexamethyl-6,12-dioxo-oxacyclotetradec-4-yl]formamide is sourced from PubChem (CID 143417697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).