N-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide

C12H24N2O2 — CID 64539549

IUPACN-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide
SMILESCC(O)C(N)CNC(=O)C1CCCCCC1
InChIInChI=1S/C12H24N2O2/c1-9(15)11(13)8-14-12(16)10-6-4-2-3-5-7-10/h9-11,15H,2-8,13H2,1H3,(H,14,16)
InChIKeyKFOUZBWUTUWEQL-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.78
Rot. Bonds4

About N-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide

N-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide (PubChem CID 64539549) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide
PubChem CID64539549
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide
SMILESCC(O)C(N)CNC(=O)C1CCCCCC1
InChIInChI=1S/C12H24N2O2/c1-9(15)11(13)8-14-12(16)10-6-4-2-3-5-7-10/h9-11,15H,2-8,13H2,1H3,(H,14,16)
InChIKeyKFOUZBWUTUWEQL-UHFFFAOYSA-N
XLogP0.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
N-(2-amino-3-ethylpentyl)cyclopentanecarboxamide
CID 106285963
N-(2-amino-4-methylpentyl)cyclooctanecarboxamide
CID 107158623
N-(2-amino-3-hydroxybutyl)thiolane-3-carboxamide
CID 64542327
N-(2-amino-3-hydroxybutyl)-4-butylcyclohexane-1-carboxamide
CID 64542116
N-(2-amino-3-hydroxybutyl)-2-cyclohexylacetamide
CID 64542106
N-(2-chloropropyl)cyclopentanecarboxamide
CID 114296250
N-(3-bromo-2-methylpropyl)cyclooctanecarboxamide
CID 114313551
N-(2-amino-3-hydroxybutyl)-3-cyclohexylpropanamide
CID 64541698
N-(2-amino-3-hydroxybutyl)-5-methyloxolane-3-carboxamide
CID 114826417
N-(2-cyanopropyl)cyclooctanecarboxamide
CID 65018661
N-(2-amino-3-hydroxybutyl)piperidine-1-carboxamide
CID 79154941

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide (CID 64539549) is N-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide is CC(O)C(N)CNC(=O)C1CCCCCC1.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide?
The InChIKey is KFOUZBWUTUWEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(15)11(13)8-14-12(16)10-6-4-2-3-5-7-10/h9-11,15H,2-8,13H2,1H3,(H,14,16).
What are the key properties of N-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide?
N-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide is sourced from PubChem (CID 64539549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).