N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-(4-methoxyphenyl)butanamide

C16H23NO4 — CID 91797072

IUPACN-[(3R,4R)-4-hydroxyoxan-3-yl]-4-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)N[C@@H]2COCC[C@H]2O)cc1
InChIInChI=1S/C16H23NO4/c1-20-13-7-5-12(6-8-13)3-2-4-16(19)17-14-11-21-10-9-15(14)18/h5-8,14-15,18H,2-4,9-11H2,1H3,(H,17,19)/t14-,15-/m1/s1
InChIKeyNNJTZXAOSMPXDV-HUUCEWRRSA-N
MW293.36 g/mol
LogP1.28
Rot. Bonds6

About N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-(4-methoxyphenyl)butanamide

N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-(4-methoxyphenyl)butanamide (PubChem CID 91797072) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxyoxan-3-yl]-4-(4-methoxyphenyl)butanamide
PubChem CID91797072
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-[(3R,4R)-4-hydroxyoxan-3-yl]-4-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)N[C@@H]2COCC[C@H]2O)cc1
InChIInChI=1S/C16H23NO4/c1-20-13-7-5-12(6-8-13)3-2-4-16(19)17-14-11-21-10-9-15(14)18/h5-8,14-15,18H,2-4,9-11H2,1H3,(H,17,19)/t14-,15-/m1/s1
InChIKeyNNJTZXAOSMPXDV-HUUCEWRRSA-N
XLogP1.28
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]butanamide
CID 91763561
4-(4-methoxyphenyl)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119385919
4-(4-methoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119449629
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800
(1S,3S,4S)-N-cyclopropyl-3-methoxy-4-[4-(4-methoxyphenyl)butanoylamino]cyclohexane-1-carboxamide
CID 155491944
6-(4-methoxyphenyl)-N-piperidin-4-ylhexanamide
CID 119387370
N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide
CID 114297242
N-formyl-5-(4-methoxyphenyl)pentanamide
CID 164557203
N-(4-aminocyclohexyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119476012
N-(2-aminocycloheptyl)-3-(4-methoxyphenyl)propanamide
CID 63257730
(3S)-4-[4-(4-methoxyphenyl)butanoyl]morpholine-3-carboxylic acid
CID 125133614
3-(4-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide
CID 122276174

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-(4-methoxyphenyl)butanamide?
The IUPAC name of N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-(4-methoxyphenyl)butanamide (CID 91797072) is N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-(4-methoxyphenyl)butanamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-(4-methoxyphenyl)butanamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-(4-methoxyphenyl)butanamide is COc1ccc(CCCC(=O)N[C@@H]2COCC[C@H]2O)cc1.
What is the InChIKey of N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-(4-methoxyphenyl)butanamide?
The InChIKey is NNJTZXAOSMPXDV-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H23NO4/c1-20-13-7-5-12(6-8-13)3-2-4-16(19)17-14-11-21-10-9-15(14)18/h5-8,14-15,18H,2-4,9-11H2,1H3,(H,17,19)/t14-,15-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-(4-methoxyphenyl)butanamide?
N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-(4-methoxyphenyl)butanamide has a molecular weight of 293.36 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 91797072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).