4-(2-hydroxyethyl)-N,N-dimethyl-1,4-diazepane-1-carboxamide

C10H21N3O2 — CID 78942634

IUPAC4-(2-hydroxyethyl)-N,N-dimethyl-1,4-diazepane-1-carboxamide
SMILESCN(C)C(=O)N1CCCN(CCO)CC1
InChIInChI=1S/C10H21N3O2/c1-11(2)10(15)13-5-3-4-12(6-7-13)8-9-14/h14H,3-9H2,1-2H3
InChIKeyVKUVYSQSMCHOMA-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.33
Rot. Bonds2

About 4-(2-hydroxyethyl)-N,N-dimethyl-1,4-diazepane-1-carboxamide

4-(2-hydroxyethyl)-N,N-dimethyl-1,4-diazepane-1-carboxamide (PubChem CID 78942634) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-N,N-dimethyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-N,N-dimethyl-1,4-diazepane-1-carboxamide
PubChem CID78942634
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name4-(2-hydroxyethyl)-N,N-dimethyl-1,4-diazepane-1-carboxamide
SMILESCN(C)C(=O)N1CCCN(CCO)CC1
InChIInChI=1S/C10H21N3O2/c1-11(2)10(15)13-5-3-4-12(6-7-13)8-9-14/h14H,3-9H2,1-2H3
InChIKeyVKUVYSQSMCHOMA-UHFFFAOYSA-N
XLogP-0.33
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(dimethylcarbamoyl)-1,4-diazepan-1-yl]acetic acid
CID 62825178
2-[[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]-methylamino]butanoic acid
CID 107223923
2-[butan-2-yl-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]amino]acetic acid
CID 107223921
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methoxyethanone
CID 63309841
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
cyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308401
2-[[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]-prop-2-ynylamino]acetic acid
CID 107223969
4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-methylamino]butanoic acid
CID 43592289
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(propan-2-ylamino)ethanone
CID 60841644
4-(2-hydroxyethyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 43501412
1-[4-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]ethanone
CID 63308410
2-amino-3,3,3-trifluoro-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 107218232

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-N,N-dimethyl-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(2-hydroxyethyl)-N,N-dimethyl-1,4-diazepane-1-carboxamide (CID 78942634) is 4-(2-hydroxyethyl)-N,N-dimethyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxyethyl)-N,N-dimethyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(2-hydroxyethyl)-N,N-dimethyl-1,4-diazepane-1-carboxamide is CN(C)C(=O)N1CCCN(CCO)CC1.
What is the InChIKey of 4-(2-hydroxyethyl)-N,N-dimethyl-1,4-diazepane-1-carboxamide?
The InChIKey is VKUVYSQSMCHOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-11(2)10(15)13-5-3-4-12(6-7-13)8-9-14/h14H,3-9H2,1-2H3.
What are the key properties of 4-(2-hydroxyethyl)-N,N-dimethyl-1,4-diazepane-1-carboxamide?
4-(2-hydroxyethyl)-N,N-dimethyl-1,4-diazepane-1-carboxamide has a molecular weight of 215.30 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-N,N-dimethyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 78942634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).