N-[(1R)-1-hydroxy-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]propan-2-yl]-6-(4-methoxyphenyl)-6-oxohexanamide

C31H37NO7 — CID 118983873

IUPACN-[(1R)-1-hydroxy-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]propan-2-yl]-6-(4-methoxyphenyl)-6-oxohexanamide
SMILESCOc1ccc(OCCOc2ccc([C@@H](O)C(C)NC(=O)CCCCC(=O)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C31H37NO7/c1-22(32-30(34)7-5-4-6-29(33)23-8-12-25(36-2)13-9-23)31(35)24-10-14-27(15-11-24)38-20-21-39-28-18-16-26(37-3)17-19-28/h8-19,22,31,35H,4-7,20-21H2,1-3H3,(H,32,34)/t22?,31-/m0/s1
InChIKeyYEVBUQZROIICBF-NMBPHSMGSA-N
MW535.64 g/mol
LogP5.14
Rot. Bonds16

About N-[(1R)-1-hydroxy-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]propan-2-yl]-6-(4-methoxyphenyl)-6-oxohexanamide

N-[(1R)-1-hydroxy-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]propan-2-yl]-6-(4-methoxyphenyl)-6-oxohexanamide (PubChem CID 118983873) has the molecular formula C31H37NO7 and a molecular weight of 535.64 g/mol. Its IUPAC name is N-[(1R)-1-hydroxy-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]propan-2-yl]-6-(4-methoxyphenyl)-6-oxohexanamide.

Molecular Properties

Compound NameN-[(1R)-1-hydroxy-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]propan-2-yl]-6-(4-methoxyphenyl)-6-oxohexanamide
PubChem CID118983873
Molecular FormulaC31H37NO7
Molecular Weight535.64 g/mol
Exact Mass535.26
IUPAC NameN-[(1R)-1-hydroxy-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]propan-2-yl]-6-(4-methoxyphenyl)-6-oxohexanamide
SMILESCOc1ccc(OCCOc2ccc([C@@H](O)C(C)NC(=O)CCCCC(=O)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C31H37NO7/c1-22(32-30(34)7-5-4-6-29(33)23-8-12-25(36-2)13-9-23)31(35)24-10-14-27(15-11-24)38-20-21-39-28-18-16-26(37-3)17-19-28/h8-19,22,31,35H,4-7,20-21H2,1-3H3,(H,32,34)/t22?,31-/m0/s1
InChIKeyYEVBUQZROIICBF-NMBPHSMGSA-N
XLogP5.14
TPSA103.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.64
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-hydroxy-1-[4-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpropan-2-yl]-6-(4-methoxyphenyl)-6-oxohexanamide
CID 90159878
N-[(1R,2R)-1-hydroxy-1-[4-(3-phenoxypropoxy)phenyl]-3-pyrrolidin-1-ylpropan-2-yl]-6-(4-methoxyphenyl)-6-oxohexanamide
CID 59531004
N-[(1R,2R)-1-hydroxy-1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3-pyrrolidin-1-ylpropan-2-yl]-6-(4-methoxyphenyl)-6-oxohexanamide;2,2,2-trifluoroacetic acid
CID 169431433
N-[(1R,2R)-1-(4-hexoxyphenyl)-1-hydroxy-3-(3-methyl-2-azabicyclo[2.1.1]hexan-2-yl)propan-2-yl]-6-(4-methoxyphenyl)-6-oxohexanamide
CID 130369167
N-[1-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108796278
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
5-(4-methoxyphenyl)-5-oxo-N-(2-phenoxyethoxy)pentanamide
CID 110311300
2-(4-methoxyphenyl)-2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid
CID 120688356
N-butan-2-yl-4-(4-methoxyphenoxy)butanamide
CID 19175097
3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 122190796
5-(4-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopentanamide
CID 55972820
methyl 3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-(4-methylphenyl)propanoate
CID 55914760

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-hydroxy-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]propan-2-yl]-6-(4-methoxyphenyl)-6-oxohexanamide?
The IUPAC name of N-[(1R)-1-hydroxy-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]propan-2-yl]-6-(4-methoxyphenyl)-6-oxohexanamide (CID 118983873) is N-[(1R)-1-hydroxy-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]propan-2-yl]-6-(4-methoxyphenyl)-6-oxohexanamide.
What is the SMILES notation for N-[(1R)-1-hydroxy-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]propan-2-yl]-6-(4-methoxyphenyl)-6-oxohexanamide?
The canonical SMILES for N-[(1R)-1-hydroxy-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]propan-2-yl]-6-(4-methoxyphenyl)-6-oxohexanamide is COc1ccc(OCCOc2ccc([C@@H](O)C(C)NC(=O)CCCCC(=O)c3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of N-[(1R)-1-hydroxy-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]propan-2-yl]-6-(4-methoxyphenyl)-6-oxohexanamide?
The InChIKey is YEVBUQZROIICBF-NMBPHSMGSA-N. The full InChI is InChI=1S/C31H37NO7/c1-22(32-30(34)7-5-4-6-29(33)23-8-12-25(36-2)13-9-23)31(35)24-10-14-27(15-11-24)38-20-21-39-28-18-16-26(37-3)17-19-28/h8-19,22,31,35H,4-7,20-21H2,1-3H3,(H,32,34)/t22?,31-/m0/s1.
What are the key properties of N-[(1R)-1-hydroxy-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]propan-2-yl]-6-(4-methoxyphenyl)-6-oxohexanamide?
N-[(1R)-1-hydroxy-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]propan-2-yl]-6-(4-methoxyphenyl)-6-oxohexanamide has a molecular weight of 535.64 g/mol, XLogP of 5.14, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-hydroxy-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]propan-2-yl]-6-(4-methoxyphenyl)-6-oxohexanamide is sourced from PubChem (CID 118983873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).