N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-(3-trimethylsilylprop-2-ynyl)benzamide

C38H42N2O4Si — CID 59829801

IUPACN-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-(3-trimethylsilylprop-2-ynyl)benzamide
SMILESC[Si](C)(C)C#CCc1cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C38H42N2O4Si/c1-45(2,3)24-10-15-33-25-35(38(41)39-34-18-16-30(17-19-34)27-40-20-22-42-23-21-40)37(44-29-32-13-8-5-9-14-32)26-36(33)43-28-31-11-6-4-7-12-31/h4-9,11-14,16-19,25-26H,15,20-23,27-29H2,1-3H3,(H,39,41)
InChIKeyWOIZYYWWWGDDQG-UHFFFAOYSA-N
MW618.85 g/mol
LogP7.35
Rot. Bonds11

About N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-(3-trimethylsilylprop-2-ynyl)benzamide

N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-(3-trimethylsilylprop-2-ynyl)benzamide (PubChem CID 59829801) has the molecular formula C38H42N2O4Si and a molecular weight of 618.85 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-(3-trimethylsilylprop-2-ynyl)benzamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-(3-trimethylsilylprop-2-ynyl)benzamide
PubChem CID59829801
Molecular FormulaC38H42N2O4Si
Molecular Weight618.85 g/mol
Exact Mass618.29
IUPAC NameN-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-(3-trimethylsilylprop-2-ynyl)benzamide
SMILESC[Si](C)(C)C#CCc1cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C38H42N2O4Si/c1-45(2,3)24-10-15-33-25-35(38(41)39-34-18-16-30(17-19-34)27-40-20-22-42-23-21-40)37(44-29-32-13-8-5-9-14-32)26-36(33)43-28-31-11-6-4-7-12-31/h4-9,11-14,16-19,25-26H,15,20-23,27-29H2,1-3H3,(H,39,41)
InChIKeyWOIZYYWWWGDDQG-UHFFFAOYSA-N
XLogP7.35
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.85
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-(3-trimethylsilylprop-2-ynyl)benzenecarbothioamide
CID 59829923
N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
CID 135336988
1-[[5-but-2-ynyl-2,4-bis(prop-2-enoxy)benzoyl]amino]-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea
CID 89226376
2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 2996444
4-methoxy-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylmethoxybenzamide
CID 141436173
4-bromo-5-(morpholin-4-ylmethyl)-2-phenylmethoxybenzoic acid
CID 66611351
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4,5-trimethoxybenzamide
CID 42313354
2-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 72710604
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 24518315
2-methoxy-5-morpholin-4-ylsulfonyl-N-(4-phenylmethoxyphenyl)benzamide
CID 27843834
N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide
CID 851463
2,4-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 108731005

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-(3-trimethylsilylprop-2-ynyl)benzamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-(3-trimethylsilylprop-2-ynyl)benzamide (CID 59829801) is N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-(3-trimethylsilylprop-2-ynyl)benzamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-(3-trimethylsilylprop-2-ynyl)benzamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-(3-trimethylsilylprop-2-ynyl)benzamide is C[Si](C)(C)C#CCc1cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c(OCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-(3-trimethylsilylprop-2-ynyl)benzamide?
The InChIKey is WOIZYYWWWGDDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42N2O4Si/c1-45(2,3)24-10-15-33-25-35(38(41)39-34-18-16-30(17-19-34)27-40-20-22-42-23-21-40)37(44-29-32-13-8-5-9-14-32)26-36(33)43-28-31-11-6-4-7-12-31/h4-9,11-14,16-19,25-26H,15,20-23,27-29H2,1-3H3,(H,39,41).
What are the key properties of N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-(3-trimethylsilylprop-2-ynyl)benzamide?
N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-(3-trimethylsilylprop-2-ynyl)benzamide has a molecular weight of 618.85 g/mol, XLogP of 7.35, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-(3-trimethylsilylprop-2-ynyl)benzamide is sourced from PubChem (CID 59829801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).