(6R)-1-[(2-methoxyphenyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide

C19H29N3O3 — CID 125011765

IUPAC(6R)-1-[(2-methoxyphenyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
SMILESCOc1ccccc1CN1CCN(C2CCOCC2)C[C@H](C(N)=O)C1
InChIInChI=1S/C19H29N3O3/c1-24-18-5-3-2-4-15(18)12-21-8-9-22(14-16(13-21)19(20)23)17-6-10-25-11-7-17/h2-5,16-17H,6-14H2,1H3,(H2,20,23)/t16-/m1/s1
InChIKeyVSXJBJMRXNGBIA-MRXNPFEDSA-N
MW347.46 g/mol
LogP1.09
Rot. Bonds5

About (6R)-1-[(2-methoxyphenyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide

(6R)-1-[(2-methoxyphenyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide (PubChem CID 125011765) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (6R)-1-[(2-methoxyphenyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name(6R)-1-[(2-methoxyphenyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
PubChem CID125011765
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(6R)-1-[(2-methoxyphenyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
SMILESCOc1ccccc1CN1CCN(C2CCOCC2)C[C@H](C(N)=O)C1
InChIInChI=1S/C19H29N3O3/c1-24-18-5-3-2-4-15(18)12-21-8-9-22(14-16(13-21)19(20)23)17-6-10-25-11-7-17/h2-5,16-17H,6-14H2,1H3,(H2,20,23)/t16-/m1/s1
InChIKeyVSXJBJMRXNGBIA-MRXNPFEDSA-N
XLogP1.09
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxan-4-yl)-4-(2-phenylethyl)-1,4-diazepane-6-carboxamide
CID 127245419
1-[(2-fluorophenyl)methyl]-N-methyl-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 127245395
1-[(2-ethoxyphenyl)methyl]-4-methyl-1,4-diazepane-6-carboxamide
CID 127245398
2-[(2-methoxyphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929865
1-acetyl-4-[(2-ethoxyphenyl)methyl]-1,4-diazepane-6-carboxamide
CID 110098469
1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845803
1-(oxan-4-yl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepane-6-carboxamide
CID 127245462
1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 75501255
(6S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 125025309
1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 23884997
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508

Frequently Asked Questions

What is the IUPAC name of (6R)-1-[(2-methoxyphenyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide?
The IUPAC name of (6R)-1-[(2-methoxyphenyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide (CID 125011765) is (6R)-1-[(2-methoxyphenyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide.
What is the SMILES notation for (6R)-1-[(2-methoxyphenyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide?
The canonical SMILES for (6R)-1-[(2-methoxyphenyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide is COc1ccccc1CN1CCN(C2CCOCC2)C[C@H](C(N)=O)C1.
What is the InChIKey of (6R)-1-[(2-methoxyphenyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide?
The InChIKey is VSXJBJMRXNGBIA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-24-18-5-3-2-4-15(18)12-21-8-9-22(14-16(13-21)19(20)23)17-6-10-25-11-7-17/h2-5,16-17H,6-14H2,1H3,(H2,20,23)/t16-/m1/s1.
What are the key properties of (6R)-1-[(2-methoxyphenyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide?
(6R)-1-[(2-methoxyphenyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-[(2-methoxyphenyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 125011765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).