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

C8H17N3O2 — CID 14799514

IUPAC4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
SMILESNC(=O)N1CCCN(CCO)CC1
InChIInChI=1S/C8H17N3O2/c9-8(13)11-3-1-2-10(4-5-11)6-7-12/h12H,1-7H2,(H2,9,13)
InChIKeyNMJWLDZJYVMSIY-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.93
Rot. Bonds2

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

4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide (PubChem CID 14799514) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
PubChem CID14799514
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
SMILESNC(=O)N1CCCN(CCO)CC1
InChIInChI=1S/C8H17N3O2/c9-8(13)11-3-1-2-10(4-5-11)6-7-12/h12H,1-7H2,(H2,9,13)
InChIKeyNMJWLDZJYVMSIY-UHFFFAOYSA-N
XLogP-0.93
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide (CID 14799514) is 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide is NC(=O)N1CCCN(CCO)CC1.
What is the InChIKey of 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide?
The InChIKey is NMJWLDZJYVMSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c9-8(13)11-3-1-2-10(4-5-11)6-7-12/h12H,1-7H2,(H2,9,13).
What are the key properties of 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide?
4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide has a molecular weight of 187.24 g/mol, XLogP of -0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 14799514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).