(6R)-1-(2-ethoxyethyl)-4-methyl-1,4-diazepane-6-carboxamide

C11H23N3O2 — CID 124969594

IUPAC(6R)-1-(2-ethoxyethyl)-4-methyl-1,4-diazepane-6-carboxamide
SMILESCCOCCN1CCN(C)C[C@@H](C(N)=O)C1
InChIInChI=1S/C11H23N3O2/c1-3-16-7-6-14-5-4-13(2)8-10(9-14)11(12)15/h10H,3-9H2,1-2H3,(H2,12,15)/t10-/m1/s1
InChIKeyJJZJDIIFGAQVEU-SNVBAGLBSA-N
MW229.32 g/mol
LogP-0.63
Rot. Bonds5

About (6R)-1-(2-ethoxyethyl)-4-methyl-1,4-diazepane-6-carboxamide

(6R)-1-(2-ethoxyethyl)-4-methyl-1,4-diazepane-6-carboxamide (PubChem CID 124969594) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (6R)-1-(2-ethoxyethyl)-4-methyl-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name(6R)-1-(2-ethoxyethyl)-4-methyl-1,4-diazepane-6-carboxamide
PubChem CID124969594
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(6R)-1-(2-ethoxyethyl)-4-methyl-1,4-diazepane-6-carboxamide
SMILESCCOCCN1CCN(C)C[C@@H](C(N)=O)C1
InChIInChI=1S/C11H23N3O2/c1-3-16-7-6-14-5-4-13(2)8-10(9-14)11(12)15/h10H,3-9H2,1-2H3,(H2,12,15)/t10-/m1/s1
InChIKeyJJZJDIIFGAQVEU-SNVBAGLBSA-N
XLogP-0.63
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2-ethoxyphenyl)methyl]-4-methyl-1,4-diazepane-6-carboxamide
CID 127245398
methyl (3S)-1-(2-ethoxyethyl)piperidine-3-carboxylate
CID 79038653
N-(2-aminoethyl)-1-(2-ethoxyethyl)piperidine-3-carboxamide
CID 63252840
[(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol
CID 129367814
2-[2-(4-methylpiperazin-1-yl)ethoxy]acetamide
CID 142386012
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168696255
1-(5-ethoxypentyl)-4-methylpiperazine
CID 155702550
1-(2-propoxyethyl)piperidine-3-carboxylic acid
CID 106454575
methyl 1-(2-ethoxyethyl)piperidine-4-carboxylate
CID 60691218
(6S)-1-[(2,3-difluorophenyl)methyl]-4-methyl-1,4-diazepane-6-carboxamide
CID 124969991
1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 139907414
(2S)-2-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-1-one
CID 129393995

Frequently Asked Questions

What is the IUPAC name of (6R)-1-(2-ethoxyethyl)-4-methyl-1,4-diazepane-6-carboxamide?
The IUPAC name of (6R)-1-(2-ethoxyethyl)-4-methyl-1,4-diazepane-6-carboxamide (CID 124969594) is (6R)-1-(2-ethoxyethyl)-4-methyl-1,4-diazepane-6-carboxamide.
What is the SMILES notation for (6R)-1-(2-ethoxyethyl)-4-methyl-1,4-diazepane-6-carboxamide?
The canonical SMILES for (6R)-1-(2-ethoxyethyl)-4-methyl-1,4-diazepane-6-carboxamide is CCOCCN1CCN(C)C[C@@H](C(N)=O)C1.
What is the InChIKey of (6R)-1-(2-ethoxyethyl)-4-methyl-1,4-diazepane-6-carboxamide?
The InChIKey is JJZJDIIFGAQVEU-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-16-7-6-14-5-4-13(2)8-10(9-14)11(12)15/h10H,3-9H2,1-2H3,(H2,12,15)/t10-/m1/s1.
What are the key properties of (6R)-1-(2-ethoxyethyl)-4-methyl-1,4-diazepane-6-carboxamide?
(6R)-1-(2-ethoxyethyl)-4-methyl-1,4-diazepane-6-carboxamide has a molecular weight of 229.32 g/mol, XLogP of -0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-(2-ethoxyethyl)-4-methyl-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 124969594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).