N-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide

C11H20N2O2 — CID 107404102

IUPACN-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide
SMILESCC1(O)CCCN(C(=O)NC2CC2)CC1
InChIInChI=1S/C11H20N2O2/c1-11(15)5-2-7-13(8-6-11)10(14)12-9-3-4-9/h9,15H,2-8H2,1H3,(H,12,14)
InChIKeyIRSHDYDBFXHIAO-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.10
Rot. Bonds1

About N-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide

N-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide (PubChem CID 107404102) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide
PubChem CID107404102
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide
SMILESCC1(O)CCCN(C(=O)NC2CC2)CC1
InChIInChI=1S/C11H20N2O2/c1-11(15)5-2-7-13(8-6-11)10(14)12-9-3-4-9/h9,15H,2-8H2,1H3,(H,12,14)
InChIKeyIRSHDYDBFXHIAO-UHFFFAOYSA-N
XLogP1.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclobutyl-4-hydroxy-4-methylazepane-1-carboxamide
CID 107404109
N-cyclobutyl-3-hydroxy-3-methylpiperidine-1-carboxamide
CID 115872270
4-hydroxy-4-methylazepane-1-carbohydrazide
CID 107405919
1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123468
3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66031857
N-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 18723341
N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide
CID 79152452
N-[4-(methylamino)cyclohexyl]piperidine-1-carboxamide
CID 79156160
2-cyclopropyl-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]acetic acid
CID 107405749
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765389
(4S)-N-cyclopentyl-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide
CID 72870335
N-cycloheptylpiperidine-1-carboxamide
CID 54054704

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide?
The IUPAC name of N-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide (CID 107404102) is N-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide?
The canonical SMILES for N-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide is CC1(O)CCCN(C(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide?
The InChIKey is IRSHDYDBFXHIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(15)5-2-7-13(8-6-11)10(14)12-9-3-4-9/h9,15H,2-8H2,1H3,(H,12,14).
What are the key properties of N-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide?
N-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide is sourced from PubChem (CID 107404102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).