N-(3-hydroxy-4-methylpentyl)bicyclo[4.1.0]heptane-7-carboxamide

C14H25NO2 — CID 111540255

IUPACN-(3-hydroxy-4-methylpentyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESCC(C)C(O)CCNC(=O)C1C2CCCCC21
InChIInChI=1S/C14H25NO2/c1-9(2)12(16)7-8-15-14(17)13-10-5-3-4-6-11(10)13/h9-13,16H,3-8H2,1-2H3,(H,15,17)
InChIKeyLLHRDNWDXJQEDU-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.95
Rot. Bonds5

About N-(3-hydroxy-4-methylpentyl)bicyclo[4.1.0]heptane-7-carboxamide

N-(3-hydroxy-4-methylpentyl)bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 111540255) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylpentyl)bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylpentyl)bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID111540255
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-(3-hydroxy-4-methylpentyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESCC(C)C(O)CCNC(=O)C1C2CCCCC21
InChIInChI=1S/C14H25NO2/c1-9(2)12(16)7-8-15-14(17)13-10-5-3-4-6-11(10)13/h9-13,16H,3-8H2,1-2H3,(H,15,17)
InChIKeyLLHRDNWDXJQEDU-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide
CID 111461401
N-[2-(methylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 81478899
N-(2-aminoethyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81459042
N-(2-bromopropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 114308612
(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide
CID 124567047
N-(3-hydroxy-4-methylpentyl)-1-propanoylpiperidine-2-carboxamide
CID 111461149
N-(3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81449431
N-[4-[(3-hydroxy-4-methylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 111460537
N-(3-chloro-4-methoxybutyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 106243577
N-(3-hydroxy-4-methylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 111461165
N-(4-bromobutyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 106845738
N-(5-hydroxypentyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 107318652

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylpentyl)bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methylpentyl)bicyclo[4.1.0]heptane-7-carboxamide (CID 111540255) is N-(3-hydroxy-4-methylpentyl)bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methylpentyl)bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methylpentyl)bicyclo[4.1.0]heptane-7-carboxamide is CC(C)C(O)CCNC(=O)C1C2CCCCC21.
What is the InChIKey of N-(3-hydroxy-4-methylpentyl)bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is LLHRDNWDXJQEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-9(2)12(16)7-8-15-14(17)13-10-5-3-4-6-11(10)13/h9-13,16H,3-8H2,1-2H3,(H,15,17).
What are the key properties of N-(3-hydroxy-4-methylpentyl)bicyclo[4.1.0]heptane-7-carboxamide?
N-(3-hydroxy-4-methylpentyl)bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylpentyl)bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 111540255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).