(6R)-1-[(2-ethoxyphenyl)methyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide

C17H27N3O2 — CID 124991058

IUPAC(6R)-1-[(2-ethoxyphenyl)methyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide
SMILESCCOc1ccccc1CN1CCN(C)C[C@@H](C(=O)NC)C1
InChIInChI=1S/C17H27N3O2/c1-4-22-16-8-6-5-7-14(16)12-20-10-9-19(3)11-15(13-20)17(21)18-2/h5-8,15H,4,9-13H2,1-3H3,(H,18,21)/t15-/m1/s1
InChIKeyPGHLTMHSAKRBIA-OAHLLOKOSA-N
MW305.42 g/mol
LogP1.19
Rot. Bonds5

About (6R)-1-[(2-ethoxyphenyl)methyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide

(6R)-1-[(2-ethoxyphenyl)methyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide (PubChem CID 124991058) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (6R)-1-[(2-ethoxyphenyl)methyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name(6R)-1-[(2-ethoxyphenyl)methyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide
PubChem CID124991058
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(6R)-1-[(2-ethoxyphenyl)methyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide
SMILESCCOc1ccccc1CN1CCN(C)C[C@@H](C(=O)NC)C1
InChIInChI=1S/C17H27N3O2/c1-4-22-16-8-6-5-7-14(16)12-20-10-9-19(3)11-15(13-20)17(21)18-2/h5-8,15H,4,9-13H2,1-3H3,(H,18,21)/t15-/m1/s1
InChIKeyPGHLTMHSAKRBIA-OAHLLOKOSA-N
XLogP1.19
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-ethoxyphenyl)methyl]-4-methyl-1,4-diazepane-6-carboxamide
CID 127245398
1-acetyl-4-[(2-ethoxyphenyl)methyl]-1,4-diazepane-6-carboxamide
CID 110098469
methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate
CID 60670101
(3R)-1-[(2-chlorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 94023565
1-acetyl-4-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1,4-diazepane-6-carboxamide
CID 127245448
1-[(2-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 136534264
N-[(2-ethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46775726
4-benzyl-1-[(2-ethoxyphenyl)methyl]piperidine;oxalic acid
CID 163328313
4-[(2-ethoxyphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 110613303
N-[1-[(2-ethoxyphenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide
CID 156602331
(6R)-N,1-dimethyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-6-carboxamide
CID 125012077
1-[(2-ethoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 7334962

Frequently Asked Questions

What is the IUPAC name of (6R)-1-[(2-ethoxyphenyl)methyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide?
The IUPAC name of (6R)-1-[(2-ethoxyphenyl)methyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide (CID 124991058) is (6R)-1-[(2-ethoxyphenyl)methyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide.
What is the SMILES notation for (6R)-1-[(2-ethoxyphenyl)methyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide?
The canonical SMILES for (6R)-1-[(2-ethoxyphenyl)methyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide is CCOc1ccccc1CN1CCN(C)C[C@@H](C(=O)NC)C1.
What is the InChIKey of (6R)-1-[(2-ethoxyphenyl)methyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide?
The InChIKey is PGHLTMHSAKRBIA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-22-16-8-6-5-7-14(16)12-20-10-9-19(3)11-15(13-20)17(21)18-2/h5-8,15H,4,9-13H2,1-3H3,(H,18,21)/t15-/m1/s1.
What are the key properties of (6R)-1-[(2-ethoxyphenyl)methyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide?
(6R)-1-[(2-ethoxyphenyl)methyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-[(2-ethoxyphenyl)methyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 124991058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).