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

C11H21N3O2 — CID 63309757

IUPACN-cyclopropyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
SMILESO=C(NC1CC1)N1CCCN(CCO)CC1
InChIInChI=1S/C11H21N3O2/c15-9-8-13-4-1-5-14(7-6-13)11(16)12-10-2-3-10/h10,15H,1-9H2,(H,12,16)
InChIKeyFWGBTBBHXMYQCL-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.14
Rot. Bonds3

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

N-cyclopropyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide (PubChem CID 63309757) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-cyclopropyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
PubChem CID63309757
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-cyclopropyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
SMILESO=C(NC1CC1)N1CCCN(CCO)CC1
InChIInChI=1S/C11H21N3O2/c15-9-8-13-4-1-5-14(7-6-13)11(16)12-10-2-3-10/h10,15H,1-9H2,(H,12,16)
InChIKeyFWGBTBBHXMYQCL-UHFFFAOYSA-N
XLogP-0.14
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
CID 116658505
N-cyclopropyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carbothioamide
CID 107216870
3-[4-(cyclohexylcarbamoyl)-1,4-diazepan-1-yl]propanoic acid
CID 82322944
4-(4-aminobutyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide
CID 43252425
cyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308401
3-[4-(cycloheptylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61194091
N-cyclopropyl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide
CID 63310068
cycloheptyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63309624
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 63308795
methyl 3-[4-(cyclopentylcarbamoyl)piperazin-1-yl]propanoate
CID 78973033
N-cycloheptyl-4-ethylpiperazine-1-carboxamide
CID 108988502
2-[4-[(3-methylcyclopentyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 114548966

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-cyclopropyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide (CID 63309757) is N-cyclopropyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide is O=C(NC1CC1)N1CCCN(CCO)CC1.
What is the InChIKey of N-cyclopropyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide?
The InChIKey is FWGBTBBHXMYQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c15-9-8-13-4-1-5-14(7-6-13)11(16)12-10-2-3-10/h10,15H,1-9H2,(H,12,16).
What are the key properties of N-cyclopropyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide?
N-cyclopropyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 63309757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).