N-[(1R)-1-cyclopropyl-2-methoxyethyl]-6-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide

C18H26N2O3 — CID 99841570

IUPACN-[(1R)-1-cyclopropyl-2-methoxyethyl]-6-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
SMILESCOC[C@H](NC(=O)N1CCc2cccc(OC)c2CC1)C1CC1
InChIInChI=1S/C18H26N2O3/c1-22-12-16(14-6-7-14)19-18(21)20-10-8-13-4-3-5-17(23-2)15(13)9-11-20/h3-5,14,16H,6-12H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyHPHKSMPEXCCZDQ-INIZCTEOSA-N
MW318.42 g/mol
LogP2.23
Rot. Bonds5

About N-[(1R)-1-cyclopropyl-2-methoxyethyl]-6-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide

N-[(1R)-1-cyclopropyl-2-methoxyethyl]-6-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide (PubChem CID 99841570) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropyl-2-methoxyethyl]-6-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropyl-2-methoxyethyl]-6-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
PubChem CID99841570
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[(1R)-1-cyclopropyl-2-methoxyethyl]-6-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
SMILESCOC[C@H](NC(=O)N1CCc2cccc(OC)c2CC1)C1CC1
InChIInChI=1S/C18H26N2O3/c1-22-12-16(14-6-7-14)19-18(21)20-10-8-13-4-3-5-17(23-2)15(13)9-11-20/h3-5,14,16H,6-12H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyHPHKSMPEXCCZDQ-INIZCTEOSA-N
XLogP2.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-cyclopropyl-2-methoxyethyl]-6-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropyl-2-methoxyethyl]-6-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?
The IUPAC name of N-[(1R)-1-cyclopropyl-2-methoxyethyl]-6-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide (CID 99841570) is N-[(1R)-1-cyclopropyl-2-methoxyethyl]-6-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyclopropyl-2-methoxyethyl]-6-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-cyclopropyl-2-methoxyethyl]-6-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide is COC[C@H](NC(=O)N1CCc2cccc(OC)c2CC1)C1CC1.
What is the InChIKey of N-[(1R)-1-cyclopropyl-2-methoxyethyl]-6-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?
The InChIKey is HPHKSMPEXCCZDQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-22-12-16(14-6-7-14)19-18(21)20-10-8-13-4-3-5-17(23-2)15(13)9-11-20/h3-5,14,16H,6-12H2,1-2H3,(H,19,21)/t16-/m0/s1.
What are the key properties of N-[(1R)-1-cyclopropyl-2-methoxyethyl]-6-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?
N-[(1R)-1-cyclopropyl-2-methoxyethyl]-6-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropyl-2-methoxyethyl]-6-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide is sourced from PubChem (CID 99841570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).