N-[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypropan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C31H33N3O7 — CID 15403823

IUPACN-[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypropan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCOc1ccc(C(OCC(CO)NC(=O)Cn2cc(C)c(=O)[nH]c2=O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H33N3O7/c1-21-17-34(30(38)33-29(21)37)18-28(36)32-25(19-35)20-41-31(22-7-5-4-6-8-22,23-9-13-26(39-2)14-10-23)24-11-15-27(40-3)16-12-24/h4-17,25,35H,18-20H2,1-3H3,(H,32,36)(H,33,37,38)
InChIKeyCAPXOLGWYCEZQW-UHFFFAOYSA-N
MW559.62 g/mol
LogP2.35
Rot. Bonds12

About N-[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypropan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypropan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 15403823) has the molecular formula C31H33N3O7 and a molecular weight of 559.62 g/mol. Its IUPAC name is N-[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypropan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypropan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID15403823
Molecular FormulaC31H33N3O7
Molecular Weight559.62 g/mol
Exact Mass559.23
IUPAC NameN-[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypropan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCOc1ccc(C(OCC(CO)NC(=O)Cn2cc(C)c(=O)[nH]c2=O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H33N3O7/c1-21-17-34(30(38)33-29(21)37)18-28(36)32-25(19-35)20-41-31(22-7-5-4-6-8-22,23-9-13-26(39-2)14-10-23)24-11-15-27(40-3)16-12-24/h4-17,25,35H,18-20H2,1-3H3,(H,32,36)(H,33,37,38)
InChIKeyCAPXOLGWYCEZQW-UHFFFAOYSA-N
XLogP2.35
TPSA131.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.62
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-[2-benzamido-9-[2-[[(2R)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypropan-2-yl]amino]-2-oxoethyl]purin-6-yl]benzamide
CID 122377010
1-[(2S)-2-hydroxy-3-trityloxypropyl]-5-methylpyrimidine-2,4-dione
CID 124896644
N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 102461846
N-[1-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphoryl]oxy-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]butan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 70304764
3-[(3aS,7aR)-4,7-dimethyl-1,3-dioxo-3a,7a-dihydro-4,7-epoxyisoindol-2-yl]-N-[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypropan-2-yl]propanamide
CID 102343807
1-[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-5-bromopyrimidine-2,4-dione
CID 54753566
1-[[(2S,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]methyl]-5-methylpyrimidine-2,4-dione
CID 10745415
N-benzyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide
CID 4523503
(2S)-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 90182093
2-[(2R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-2H-furan-4-yl]acetic acid
CID 174071307
1-[(2R,6S)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(hydroxymethyl)-4-propan-2-ylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 155681132
methyl 2-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate
CID 15341977

Frequently Asked Questions

What is the IUPAC name of N-[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypropan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypropan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 15403823) is N-[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypropan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypropan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypropan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is COc1ccc(C(OCC(CO)NC(=O)Cn2cc(C)c(=O)[nH]c2=O)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypropan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is CAPXOLGWYCEZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O7/c1-21-17-34(30(38)33-29(21)37)18-28(36)32-25(19-35)20-41-31(22-7-5-4-6-8-22,23-9-13-26(39-2)14-10-23)24-11-15-27(40-3)16-12-24/h4-17,25,35H,18-20H2,1-3H3,(H,32,36)(H,33,37,38).
What are the key properties of N-[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypropan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypropan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 559.62 g/mol, XLogP of 2.35, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypropan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 15403823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).