(4S)-N-cyclohexyl-4-hydroxy-N-[(2S)-2-methylbutyl]-2-propan-2-ylhexanamide

C20H39NO2 — CID 54526125

IUPAC(4S)-N-cyclohexyl-4-hydroxy-N-[(2S)-2-methylbutyl]-2-propan-2-ylhexanamide
SMILESCC[C@H](C)CN(C(=O)C(C[C@@H](O)CC)C(C)C)C1CCCCC1
InChIInChI=1S/C20H39NO2/c1-6-16(5)14-21(17-11-9-8-10-12-17)20(23)19(15(3)4)13-18(22)7-2/h15-19,22H,6-14H2,1-5H3/t16-,18-,19?/m0/s1
InChIKeyYTFOMXGFRXNNFW-SPIBDARASA-N
MW325.54 g/mol
LogP4.63
Rot. Bonds9

About (4S)-N-cyclohexyl-4-hydroxy-N-[(2S)-2-methylbutyl]-2-propan-2-ylhexanamide

(4S)-N-cyclohexyl-4-hydroxy-N-[(2S)-2-methylbutyl]-2-propan-2-ylhexanamide (PubChem CID 54526125) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is (4S)-N-cyclohexyl-4-hydroxy-N-[(2S)-2-methylbutyl]-2-propan-2-ylhexanamide.

Molecular Properties

Compound Name(4S)-N-cyclohexyl-4-hydroxy-N-[(2S)-2-methylbutyl]-2-propan-2-ylhexanamide
PubChem CID54526125
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC Name(4S)-N-cyclohexyl-4-hydroxy-N-[(2S)-2-methylbutyl]-2-propan-2-ylhexanamide
SMILESCC[C@H](C)CN(C(=O)C(C[C@@H](O)CC)C(C)C)C1CCCCC1
InChIInChI=1S/C20H39NO2/c1-6-16(5)14-21(17-11-9-8-10-12-17)20(23)19(15(3)4)13-18(22)7-2/h15-19,22H,6-14H2,1-5H3/t16-,18-,19?/m0/s1
InChIKeyYTFOMXGFRXNNFW-SPIBDARASA-N
XLogP4.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.54
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-cyclohexyl-4-hydroxy-N-[(2S)-2-methylbutyl]-2-propan-2-ylhexanamide?
The IUPAC name of (4S)-N-cyclohexyl-4-hydroxy-N-[(2S)-2-methylbutyl]-2-propan-2-ylhexanamide (CID 54526125) is (4S)-N-cyclohexyl-4-hydroxy-N-[(2S)-2-methylbutyl]-2-propan-2-ylhexanamide.
What is the SMILES notation for (4S)-N-cyclohexyl-4-hydroxy-N-[(2S)-2-methylbutyl]-2-propan-2-ylhexanamide?
The canonical SMILES for (4S)-N-cyclohexyl-4-hydroxy-N-[(2S)-2-methylbutyl]-2-propan-2-ylhexanamide is CC[C@H](C)CN(C(=O)C(C[C@@H](O)CC)C(C)C)C1CCCCC1.
What is the InChIKey of (4S)-N-cyclohexyl-4-hydroxy-N-[(2S)-2-methylbutyl]-2-propan-2-ylhexanamide?
The InChIKey is YTFOMXGFRXNNFW-SPIBDARASA-N. The full InChI is InChI=1S/C20H39NO2/c1-6-16(5)14-21(17-11-9-8-10-12-17)20(23)19(15(3)4)13-18(22)7-2/h15-19,22H,6-14H2,1-5H3/t16-,18-,19?/m0/s1.
What are the key properties of (4S)-N-cyclohexyl-4-hydroxy-N-[(2S)-2-methylbutyl]-2-propan-2-ylhexanamide?
(4S)-N-cyclohexyl-4-hydroxy-N-[(2S)-2-methylbutyl]-2-propan-2-ylhexanamide has a molecular weight of 325.54 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-cyclohexyl-4-hydroxy-N-[(2S)-2-methylbutyl]-2-propan-2-ylhexanamide is sourced from PubChem (CID 54526125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).