N-[(2-hydroxycyclohexyl)methyl]-3-imidazol-1-ylhexanamide

C16H27N3O2 — CID 64929103

IUPACN-[(2-hydroxycyclohexyl)methyl]-3-imidazol-1-ylhexanamide
SMILESCCCC(CC(=O)NCC1CCCCC1O)n1ccnc1
InChIInChI=1S/C16H27N3O2/c1-2-5-14(19-9-8-17-12-19)10-16(21)18-11-13-6-3-4-7-15(13)20/h8-9,12-15,20H,2-7,10-11H2,1H3,(H,18,21)
InChIKeyUIXDPWXAEQRFKD-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.28
Rot. Bonds7

About N-[(2-hydroxycyclohexyl)methyl]-3-imidazol-1-ylhexanamide

N-[(2-hydroxycyclohexyl)methyl]-3-imidazol-1-ylhexanamide (PubChem CID 64929103) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-3-imidazol-1-ylhexanamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-3-imidazol-1-ylhexanamide
PubChem CID64929103
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-3-imidazol-1-ylhexanamide
SMILESCCCC(CC(=O)NCC1CCCCC1O)n1ccnc1
InChIInChI=1S/C16H27N3O2/c1-2-5-14(19-9-8-17-12-19)10-16(21)18-11-13-6-3-4-7-15(13)20/h8-9,12-15,20H,2-7,10-11H2,1H3,(H,18,21)
InChIKeyUIXDPWXAEQRFKD-UHFFFAOYSA-N
XLogP2.28
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-3-imidazol-1-ylhexanamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-3-imidazol-1-ylhexanamide (CID 64929103) is N-[(2-hydroxycyclohexyl)methyl]-3-imidazol-1-ylhexanamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-3-imidazol-1-ylhexanamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-3-imidazol-1-ylhexanamide is CCCC(CC(=O)NCC1CCCCC1O)n1ccnc1.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-3-imidazol-1-ylhexanamide?
The InChIKey is UIXDPWXAEQRFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-2-5-14(19-9-8-17-12-19)10-16(21)18-11-13-6-3-4-7-15(13)20/h8-9,12-15,20H,2-7,10-11H2,1H3,(H,18,21).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-3-imidazol-1-ylhexanamide?
N-[(2-hydroxycyclohexyl)methyl]-3-imidazol-1-ylhexanamide has a molecular weight of 293.41 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-3-imidazol-1-ylhexanamide is sourced from PubChem (CID 64929103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).