N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide

C20H29NO3 — CID 133184782

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESCC(Oc1cccc2c1CCCC2)C(=O)N(C)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C20H29NO3/c1-14(20(23)21(2)17-11-5-6-12-18(17)22)24-19-13-7-9-15-8-3-4-10-16(15)19/h7,9,13-14,17-18,22H,3-6,8,10-12H2,1-2H3/t14?,17-,18-/m1/s1
InChIKeyPOWPFBSANHRFPD-KNHHTTPFSA-N
MW331.46 g/mol
LogP3.09
Rot. Bonds4

About N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide

N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (PubChem CID 133184782) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
PubChem CID133184782
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESCC(Oc1cccc2c1CCCC2)C(=O)N(C)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C20H29NO3/c1-14(20(23)21(2)17-11-5-6-12-18(17)22)24-19-13-7-9-15-8-3-4-10-16(15)19/h7,9,13-14,17-18,22H,3-6,8,10-12H2,1-2H3/t14?,17-,18-/m1/s1
InChIKeyPOWPFBSANHRFPD-KNHHTTPFSA-N
XLogP3.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (CID 133184782) is N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is CC(Oc1cccc2c1CCCC2)C(=O)N(C)[C@@H]1CCCC[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The InChIKey is POWPFBSANHRFPD-KNHHTTPFSA-N. The full InChI is InChI=1S/C20H29NO3/c1-14(20(23)21(2)17-11-5-6-12-18(17)22)24-19-13-7-9-15-8-3-4-10-16(15)19/h7,9,13-14,17-18,22H,3-6,8,10-12H2,1-2H3/t14?,17-,18-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide has a molecular weight of 331.46 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is sourced from PubChem (CID 133184782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).