N,N-dimethyl-2-[[(6S)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide

C16H26N4O3 — CID 98817690

IUPACN,N-dimethyl-2-[[(6S)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide
SMILESCN(C)C(=O)COC[C@H]1CN([C@H]2CCOC2)Cc2nccn2C1
InChIInChI=1S/C16H26N4O3/c1-18(2)16(21)12-23-10-13-7-19-5-4-17-15(19)9-20(8-13)14-3-6-22-11-14/h4-5,13-14H,3,6-12H2,1-2H3/t13-,14+/m1/s1
InChIKeyOMIBDGUITQHWOH-KGLIPLIRSA-N
MW322.41 g/mol
LogP0.21
Rot. Bonds5

About N,N-dimethyl-2-[[(6S)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide

N,N-dimethyl-2-[[(6S)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide (PubChem CID 98817690) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(6S)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(6S)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide
PubChem CID98817690
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN,N-dimethyl-2-[[(6S)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide
SMILESCN(C)C(=O)COC[C@H]1CN([C@H]2CCOC2)Cc2nccn2C1
InChIInChI=1S/C16H26N4O3/c1-18(2)16(21)12-23-10-13-7-19-5-4-17-15(19)9-20(8-13)14-3-6-22-11-14/h4-5,13-14H,3,6-12H2,1-2H3/t13-,14+/m1/s1
InChIKeyOMIBDGUITQHWOH-KGLIPLIRSA-N
XLogP0.21
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-2-[[(6S)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide with MolForge

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Related Compounds

N,N-dimethyl-2-[[(7S)-5-[(3S)-oxolan-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide
CID 98812514
4-[[(6R)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine
CID 98817706
[6-[2-(dimethylamino)ethoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(oxolan-3-yl)methanone
CID 131656052
[(6R)-6-[2-(dimethylamino)ethoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-[(3R)-oxolan-3-yl]methanone
CID 97389161
6-(methoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
CID 131646208
1-[6-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-ethoxyethanone
CID 118739501
2-ethoxy-1-[(6R)-6-(prop-2-enoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
CID 97462312
[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-morpholin-4-ylmethanone
CID 97462385
N-cyclopentyl-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
CID 131646561
2-ethoxy-1-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
CID 131661278
5-(oxolan-3-yl)-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;bis(2,2,2-trifluoroacetic acid)
CID 155836437
2-ethoxy-1-[(6R)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
CID 97462833

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(6S)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(6S)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide (CID 98817690) is N,N-dimethyl-2-[[(6S)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(6S)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(6S)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide is CN(C)C(=O)COC[C@H]1CN([C@H]2CCOC2)Cc2nccn2C1.
What is the InChIKey of N,N-dimethyl-2-[[(6S)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide?
The InChIKey is OMIBDGUITQHWOH-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-18(2)16(21)12-23-10-13-7-19-5-4-17-15(19)9-20(8-13)14-3-6-22-11-14/h4-5,13-14H,3,6-12H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of N,N-dimethyl-2-[[(6S)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide?
N,N-dimethyl-2-[[(6S)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide has a molecular weight of 322.41 g/mol, XLogP of 0.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(6S)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide is sourced from PubChem (CID 98817690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).