N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide

C35H38N2O4 — CID 135336988

IUPACN-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
SMILESCC(C)c1cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C35H38N2O4/c1-26(2)31-21-32(35(38)36-30-15-13-27(14-16-30)23-37-17-19-39-20-18-37)34(41-25-29-11-7-4-8-12-29)22-33(31)40-24-28-9-5-3-6-10-28/h3-16,21-22,26H,17-20,23-25H2,1-2H3,(H,36,38)
InChIKeyILAIHIKNNRMVOO-UHFFFAOYSA-N
MW550.70 g/mol
LogP7.05
Rot. Bonds11

About N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide

N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide (PubChem CID 135336988) has the molecular formula C35H38N2O4 and a molecular weight of 550.70 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
PubChem CID135336988
Molecular FormulaC35H38N2O4
Molecular Weight550.70 g/mol
Exact Mass550.28
IUPAC NameN-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
SMILESCC(C)c1cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C35H38N2O4/c1-26(2)31-21-32(35(38)36-30-15-13-27(14-16-30)23-37-17-19-39-20-18-37)34(41-25-29-11-7-4-8-12-29)22-33(31)40-24-28-9-5-3-6-10-28/h3-16,21-22,26H,17-20,23-25H2,1-2H3,(H,36,38)
InChIKeyILAIHIKNNRMVOO-UHFFFAOYSA-N
XLogP7.05
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.70
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-(3-trimethylsilylprop-2-ynyl)benzamide
CID 59829801
N-[2-(morpholine-4-carbonyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
CID 146316459
4-methoxy-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylmethoxybenzamide
CID 141436173
2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 2996444
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 19447085
N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-(3-trimethylsilylprop-2-ynyl)benzenecarbothioamide
CID 59829923
2,4-bis(phenylmethoxy)-5-propan-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 135336963
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
N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide
CID 851463
N-(1-methylindol-7-yl)-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
CID 146316537
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4,5-trimethoxybenzamide
CID 42313354

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide (CID 135336988) is N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide is CC(C)c1cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c(OCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide?
The InChIKey is ILAIHIKNNRMVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N2O4/c1-26(2)31-21-32(35(38)36-30-15-13-27(14-16-30)23-37-17-19-39-20-18-37)34(41-25-29-11-7-4-8-12-29)22-33(31)40-24-28-9-5-3-6-10-28/h3-16,21-22,26H,17-20,23-25H2,1-2H3,(H,36,38).
What are the key properties of N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide?
N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide has a molecular weight of 550.70 g/mol, XLogP of 7.05, 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-propan-2-ylbenzamide is sourced from PubChem (CID 135336988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).