(2S)-3-cyclohexyl-2-hydroxy-N-[4-(oxan-4-ylamino)phenyl]propanamide

C20H30N2O3 — CID 124854002

IUPAC(2S)-3-cyclohexyl-2-hydroxy-N-[4-(oxan-4-ylamino)phenyl]propanamide
SMILESO=C(Nc1ccc(NC2CCOCC2)cc1)[C@@H](O)CC1CCCCC1
InChIInChI=1S/C20H30N2O3/c23-19(14-15-4-2-1-3-5-15)20(24)22-17-8-6-16(7-9-17)21-18-10-12-25-13-11-18/h6-9,15,18-19,21,23H,1-5,10-14H2,(H,22,24)/t19-/m0/s1
InChIKeyWLPIKJLQDCQHSY-IBGZPJMESA-N
MW346.47 g/mol
LogP3.55
Rot. Bonds6

About (2S)-3-cyclohexyl-2-hydroxy-N-[4-(oxan-4-ylamino)phenyl]propanamide

(2S)-3-cyclohexyl-2-hydroxy-N-[4-(oxan-4-ylamino)phenyl]propanamide (PubChem CID 124854002) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-2-hydroxy-N-[4-(oxan-4-ylamino)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-2-hydroxy-N-[4-(oxan-4-ylamino)phenyl]propanamide
PubChem CID124854002
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(2S)-3-cyclohexyl-2-hydroxy-N-[4-(oxan-4-ylamino)phenyl]propanamide
SMILESO=C(Nc1ccc(NC2CCOCC2)cc1)[C@@H](O)CC1CCCCC1
InChIInChI=1S/C20H30N2O3/c23-19(14-15-4-2-1-3-5-15)20(24)22-17-8-6-16(7-9-17)21-18-10-12-25-13-11-18/h6-9,15,18-19,21,23H,1-5,10-14H2,(H,22,24)/t19-/m0/s1
InChIKeyWLPIKJLQDCQHSY-IBGZPJMESA-N
XLogP3.55
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-2-hydroxy-N-[4-(oxan-4-ylamino)phenyl]propanamide?
The IUPAC name of (2S)-3-cyclohexyl-2-hydroxy-N-[4-(oxan-4-ylamino)phenyl]propanamide (CID 124854002) is (2S)-3-cyclohexyl-2-hydroxy-N-[4-(oxan-4-ylamino)phenyl]propanamide.
What is the SMILES notation for (2S)-3-cyclohexyl-2-hydroxy-N-[4-(oxan-4-ylamino)phenyl]propanamide?
The canonical SMILES for (2S)-3-cyclohexyl-2-hydroxy-N-[4-(oxan-4-ylamino)phenyl]propanamide is O=C(Nc1ccc(NC2CCOCC2)cc1)[C@@H](O)CC1CCCCC1.
What is the InChIKey of (2S)-3-cyclohexyl-2-hydroxy-N-[4-(oxan-4-ylamino)phenyl]propanamide?
The InChIKey is WLPIKJLQDCQHSY-IBGZPJMESA-N. The full InChI is InChI=1S/C20H30N2O3/c23-19(14-15-4-2-1-3-5-15)20(24)22-17-8-6-16(7-9-17)21-18-10-12-25-13-11-18/h6-9,15,18-19,21,23H,1-5,10-14H2,(H,22,24)/t19-/m0/s1.
What are the key properties of (2S)-3-cyclohexyl-2-hydroxy-N-[4-(oxan-4-ylamino)phenyl]propanamide?
(2S)-3-cyclohexyl-2-hydroxy-N-[4-(oxan-4-ylamino)phenyl]propanamide has a molecular weight of 346.47 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyl-2-hydroxy-N-[4-(oxan-4-ylamino)phenyl]propanamide is sourced from PubChem (CID 124854002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).