N-[(2R)-3-hydroxy-1-naphthalen-2-ylbutan-2-yl]-4-(methylaminomethyl)cyclohexane-1-carboxamide

C23H32N2O2 — CID 177342310

IUPACN-[(2R)-3-hydroxy-1-naphthalen-2-ylbutan-2-yl]-4-(methylaminomethyl)cyclohexane-1-carboxamide
SMILESCNCC1CCC(C(=O)N[C@H](Cc2ccc3ccccc3c2)C(C)O)CC1
InChIInChI=1S/C23H32N2O2/c1-16(26)22(14-18-9-10-19-5-3-4-6-21(19)13-18)25-23(27)20-11-7-17(8-12-20)15-24-2/h3-6,9-10,13,16-17,20,22,24,26H,7-8,11-12,14-15H2,1-2H3,(H,25,27)/t16?,17?,20?,22-/m1/s1
InChIKeySONLSKUNSURKAF-OTPUIEDCSA-N
MW368.52 g/mol
LogP3.27
Rot. Bonds7

About N-[(2R)-3-hydroxy-1-naphthalen-2-ylbutan-2-yl]-4-(methylaminomethyl)cyclohexane-1-carboxamide

N-[(2R)-3-hydroxy-1-naphthalen-2-ylbutan-2-yl]-4-(methylaminomethyl)cyclohexane-1-carboxamide (PubChem CID 177342310) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is N-[(2R)-3-hydroxy-1-naphthalen-2-ylbutan-2-yl]-4-(methylaminomethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-hydroxy-1-naphthalen-2-ylbutan-2-yl]-4-(methylaminomethyl)cyclohexane-1-carboxamide
PubChem CID177342310
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC NameN-[(2R)-3-hydroxy-1-naphthalen-2-ylbutan-2-yl]-4-(methylaminomethyl)cyclohexane-1-carboxamide
SMILESCNCC1CCC(C(=O)N[C@H](Cc2ccc3ccccc3c2)C(C)O)CC1
InChIInChI=1S/C23H32N2O2/c1-16(26)22(14-18-9-10-19-5-3-4-6-21(19)13-18)25-23(27)20-11-7-17(8-12-20)15-24-2/h3-6,9-10,13,16-17,20,22,24,26H,7-8,11-12,14-15H2,1-2H3,(H,25,27)/t16?,17?,20?,22-/m1/s1
InChIKeySONLSKUNSURKAF-OTPUIEDCSA-N
XLogP3.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-hydroxy-1-naphthalen-2-ylbutan-2-yl]-4-(methylaminomethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(2R)-3-hydroxy-1-naphthalen-2-ylbutan-2-yl]-4-(methylaminomethyl)cyclohexane-1-carboxamide (CID 177342310) is N-[(2R)-3-hydroxy-1-naphthalen-2-ylbutan-2-yl]-4-(methylaminomethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2R)-3-hydroxy-1-naphthalen-2-ylbutan-2-yl]-4-(methylaminomethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(2R)-3-hydroxy-1-naphthalen-2-ylbutan-2-yl]-4-(methylaminomethyl)cyclohexane-1-carboxamide is CNCC1CCC(C(=O)N[C@H](Cc2ccc3ccccc3c2)C(C)O)CC1.
What is the InChIKey of N-[(2R)-3-hydroxy-1-naphthalen-2-ylbutan-2-yl]-4-(methylaminomethyl)cyclohexane-1-carboxamide?
The InChIKey is SONLSKUNSURKAF-OTPUIEDCSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-16(26)22(14-18-9-10-19-5-3-4-6-21(19)13-18)25-23(27)20-11-7-17(8-12-20)15-24-2/h3-6,9-10,13,16-17,20,22,24,26H,7-8,11-12,14-15H2,1-2H3,(H,25,27)/t16?,17?,20?,22-/m1/s1.
What are the key properties of N-[(2R)-3-hydroxy-1-naphthalen-2-ylbutan-2-yl]-4-(methylaminomethyl)cyclohexane-1-carboxamide?
N-[(2R)-3-hydroxy-1-naphthalen-2-ylbutan-2-yl]-4-(methylaminomethyl)cyclohexane-1-carboxamide has a molecular weight of 368.52 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-hydroxy-1-naphthalen-2-ylbutan-2-yl]-4-(methylaminomethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 177342310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).