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

C12H23N3O2 — CID 116658505

IUPACN-cyclobutyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
SMILESO=C(NC1CCC1)N1CCCN(CCO)CC1
InChIInChI=1S/C12H23N3O2/c16-10-9-14-5-2-6-15(8-7-14)12(17)13-11-3-1-4-11/h11,16H,1-10H2,(H,13,17)
InChIKeyPLTNYBCOJLVPRH-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.25
Rot. Bonds3

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

N-cyclobutyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide (PubChem CID 116658505) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-cyclobutyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
PubChem CID116658505
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-cyclobutyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
SMILESO=C(NC1CCC1)N1CCCN(CCO)CC1
InChIInChI=1S/C12H23N3O2/c16-10-9-14-5-2-6-15(8-7-14)12(17)13-11-3-1-4-11/h11,16H,1-10H2,(H,13,17)
InChIKeyPLTNYBCOJLVPRH-UHFFFAOYSA-N
XLogP0.25
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
CID 63309757
3-[4-(cyclohexylcarbamoyl)-1,4-diazepan-1-yl]propanoic acid
CID 82322944
4-(4-aminobutyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide
CID 43252425
N-cyclopropyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carbothioamide
CID 107216870
3-[4-(cycloheptylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61194091
cyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308401
methyl 3-[4-(cyclopentylcarbamoyl)piperazin-1-yl]propanoate
CID 78973033
N-cycloheptyl-4-ethylpiperazine-1-carboxamide
CID 108988502
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
cycloheptyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63309624
N-cyclohexyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 60706788
N-cycloheptyl-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106139

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-cyclobutyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide (CID 116658505) is N-cyclobutyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-cyclobutyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-cyclobutyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide is O=C(NC1CCC1)N1CCCN(CCO)CC1.
What is the InChIKey of N-cyclobutyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide?
The InChIKey is PLTNYBCOJLVPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c16-10-9-14-5-2-6-15(8-7-14)12(17)13-11-3-1-4-11/h11,16H,1-10H2,(H,13,17).
What are the key properties of N-cyclobutyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide?
N-cyclobutyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 116658505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).