N-[3,4-bis(phenylmethoxy)phenyl]-3,3-bis[bis(phenylmethoxy)phosphoryl]-3-hydroxypropanamide

C51H49NO10P2 — CID 23421516

IUPACN-[3,4-bis(phenylmethoxy)phenyl]-3,3-bis[bis(phenylmethoxy)phosphoryl]-3-hydroxypropanamide
SMILESO=C(CC(O)(P(=O)(OCc1ccccc1)OCc1ccccc1)P(=O)(OCc1ccccc1)OCc1ccccc1)Nc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C51H49NO10P2/c53-50(52-47-31-32-48(57-35-41-19-7-1-8-20-41)49(33-47)58-36-42-21-9-2-10-22-42)34-51(54,63(55,59-37-43-23-11-3-12-24-43)60-38-44-25-13-4-14-26-44)64(56,61-39-45-27-15-5-16-28-45)62-40-46-29-17-6-18-30-46/h1-33,54H,34-40H2,(H,52,53)
InChIKeyXRWDLJWVAAICBH-UHFFFAOYSA-N
MW897.90 g/mol
LogP12.07
Rot. Bonds23

About N-[3,4-bis(phenylmethoxy)phenyl]-3,3-bis[bis(phenylmethoxy)phosphoryl]-3-hydroxypropanamide

N-[3,4-bis(phenylmethoxy)phenyl]-3,3-bis[bis(phenylmethoxy)phosphoryl]-3-hydroxypropanamide (PubChem CID 23421516) has the molecular formula C51H49NO10P2 and a molecular weight of 897.90 g/mol. Its IUPAC name is N-[3,4-bis(phenylmethoxy)phenyl]-3,3-bis[bis(phenylmethoxy)phosphoryl]-3-hydroxypropanamide.

Molecular Properties

Compound NameN-[3,4-bis(phenylmethoxy)phenyl]-3,3-bis[bis(phenylmethoxy)phosphoryl]-3-hydroxypropanamide
PubChem CID23421516
Molecular FormulaC51H49NO10P2
Molecular Weight897.90 g/mol
Exact Mass897.28
IUPAC NameN-[3,4-bis(phenylmethoxy)phenyl]-3,3-bis[bis(phenylmethoxy)phosphoryl]-3-hydroxypropanamide
SMILESO=C(CC(O)(P(=O)(OCc1ccccc1)OCc1ccccc1)P(=O)(OCc1ccccc1)OCc1ccccc1)Nc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C51H49NO10P2/c53-50(52-47-31-32-48(57-35-41-19-7-1-8-20-41)49(33-47)58-36-42-21-9-2-10-22-42)34-51(54,63(55,59-37-43-23-11-3-12-24-43)60-38-44-25-13-4-14-26-44)64(56,61-39-45-27-15-5-16-28-45)62-40-46-29-17-6-18-30-46/h1-33,54H,34-40H2,(H,52,53)
InChIKeyXRWDLJWVAAICBH-UHFFFAOYSA-N
XLogP12.07
TPSA138.85 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.90
LogP ≤ 512.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxy-3-phenylmethoxyphenyl)carbamic acid
CID 155170089
N-(4-benzamido-3-phenylmethoxyphenyl)benzamide
CID 5314877
2-[[3,4-bis(phenylmethoxy)anilino]methylidene]propanedioic acid
CID 67849323
3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide
CID 126086097
4-[(2-carboxybenzoyl)amino]-2-phenylmethoxybenzoic acid
CID 66574423
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
2-cyano-N-(4-cyano-3-phenylmethoxyphenyl)acetamide
CID 168523947
3-ethoxy-N-(3-hydroxyphenyl)-4-phenylmethoxybenzamide
CID 126089788
N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 139779423
N-[2-(3,4-dipropoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 35617607
4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 5002030
N-(3-chlorophenyl)-3-ethoxy-4-phenylmethoxybenzamide
CID 2192184

Frequently Asked Questions

What is the IUPAC name of N-[3,4-bis(phenylmethoxy)phenyl]-3,3-bis[bis(phenylmethoxy)phosphoryl]-3-hydroxypropanamide?
The IUPAC name of N-[3,4-bis(phenylmethoxy)phenyl]-3,3-bis[bis(phenylmethoxy)phosphoryl]-3-hydroxypropanamide (CID 23421516) is N-[3,4-bis(phenylmethoxy)phenyl]-3,3-bis[bis(phenylmethoxy)phosphoryl]-3-hydroxypropanamide.
What is the SMILES notation for N-[3,4-bis(phenylmethoxy)phenyl]-3,3-bis[bis(phenylmethoxy)phosphoryl]-3-hydroxypropanamide?
The canonical SMILES for N-[3,4-bis(phenylmethoxy)phenyl]-3,3-bis[bis(phenylmethoxy)phosphoryl]-3-hydroxypropanamide is O=C(CC(O)(P(=O)(OCc1ccccc1)OCc1ccccc1)P(=O)(OCc1ccccc1)OCc1ccccc1)Nc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of N-[3,4-bis(phenylmethoxy)phenyl]-3,3-bis[bis(phenylmethoxy)phosphoryl]-3-hydroxypropanamide?
The InChIKey is XRWDLJWVAAICBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H49NO10P2/c53-50(52-47-31-32-48(57-35-41-19-7-1-8-20-41)49(33-47)58-36-42-21-9-2-10-22-42)34-51(54,63(55,59-37-43-23-11-3-12-24-43)60-38-44-25-13-4-14-26-44)64(56,61-39-45-27-15-5-16-28-45)62-40-46-29-17-6-18-30-46/h1-33,54H,34-40H2,(H,52,53).
What are the key properties of N-[3,4-bis(phenylmethoxy)phenyl]-3,3-bis[bis(phenylmethoxy)phosphoryl]-3-hydroxypropanamide?
N-[3,4-bis(phenylmethoxy)phenyl]-3,3-bis[bis(phenylmethoxy)phosphoryl]-3-hydroxypropanamide has a molecular weight of 897.90 g/mol, XLogP of 12.07, 23 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-bis(phenylmethoxy)phenyl]-3,3-bis[bis(phenylmethoxy)phosphoryl]-3-hydroxypropanamide is sourced from PubChem (CID 23421516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).