N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide

C14H27N3O3 — CID 50964157

IUPACN-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCCN(C(=O)CN1CCCN(C)CC1)[C@H]1COC[C@@H]1O
InChIInChI=1S/C14H27N3O3/c1-3-17(12-10-20-11-13(12)18)14(19)9-16-6-4-5-15(2)7-8-16/h12-13,18H,3-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyYDVUFFIBMHLVIB-STQMWFEESA-N
MW285.39 g/mol
LogP-0.77
Rot. Bonds4

About N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide

N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide (PubChem CID 50964157) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
PubChem CID50964157
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC NameN-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCCN(C(=O)CN1CCCN(C)CC1)[C@H]1COC[C@@H]1O
InChIInChI=1S/C14H27N3O3/c1-3-17(12-10-20-11-13(12)18)14(19)9-16-6-4-5-15(2)7-8-16/h12-13,18H,3-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyYDVUFFIBMHLVIB-STQMWFEESA-N
XLogP-0.77
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide with MolForge

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Related Compounds

N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 70711422
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(4-methyl-1,4-diazepan-1-yl)-N-propan-2-ylacetamide
CID 50969745
N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 60689929
1-[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 138808459
N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 89043934
N-(1-methylpiperidin-4-yl)-2-morpholin-4-yl-N-(oxolan-3-ylmethyl)acetamide
CID 91915386
1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 104749970
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide
CID 43348717
N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 133268854
N-cyclopropyl-N-ethyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide
CID 55648073
2-[4-[2-[ethyl(methyl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]acetic acid
CID 62822911
N-cyclopentyl-N-ethyl-2-piperazin-1-ylacetamide
CID 43541539

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide (CID 50964157) is N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide is CCN(C(=O)CN1CCCN(C)CC1)[C@H]1COC[C@@H]1O.
What is the InChIKey of N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The InChIKey is YDVUFFIBMHLVIB-STQMWFEESA-N. The full InChI is InChI=1S/C14H27N3O3/c1-3-17(12-10-20-11-13(12)18)14(19)9-16-6-4-5-15(2)7-8-16/h12-13,18H,3-11H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide has a molecular weight of 285.39 g/mol, XLogP of -0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 50964157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).