N-[4-methoxy-3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-(3-methoxyphenyl)acetamide

C30H35N3O4 — CID 42869787

IUPACN-[4-methoxy-3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc(OC)c(N3CCCN(Cc4ccc(C(C)C)cc4)C3=O)c2)c1
InChIInChI=1S/C30H35N3O4/c1-21(2)24-11-9-22(10-12-24)20-32-15-6-16-33(30(32)35)27-19-25(13-14-28(27)37-4)31-29(34)18-23-7-5-8-26(17-23)36-3/h5,7-14,17,19,21H,6,15-16,18,20H2,1-4H3,(H,31,34)
InChIKeyGMZQALADYABIJQ-UHFFFAOYSA-N
MW501.63 g/mol
LogP5.84
Rot. Bonds9

About N-[4-methoxy-3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-(3-methoxyphenyl)acetamide

N-[4-methoxy-3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-(3-methoxyphenyl)acetamide (PubChem CID 42869787) has the molecular formula C30H35N3O4 and a molecular weight of 501.63 g/mol. Its IUPAC name is N-[4-methoxy-3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-(3-methoxyphenyl)acetamide
PubChem CID42869787
Molecular FormulaC30H35N3O4
Molecular Weight501.63 g/mol
Exact Mass501.26
IUPAC NameN-[4-methoxy-3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc(OC)c(N3CCCN(Cc4ccc(C(C)C)cc4)C3=O)c2)c1
InChIInChI=1S/C30H35N3O4/c1-21(2)24-11-9-22(10-12-24)20-32-15-6-16-33(30(32)35)27-19-25(13-14-28(27)37-4)31-29(34)18-23-7-5-8-26(17-23)36-3/h5,7-14,17,19,21H,6,15-16,18,20H2,1-4H3,(H,31,34)
InChIKeyGMZQALADYABIJQ-UHFFFAOYSA-N
XLogP5.84
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 16126658
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3-{4-[(3-{3-Methoxy-4-[(phenylcarbamoyl)amino]phenyl}-2-oxo-1,2-dihydropyridin-1-yl)methyl]phenyl}propanoic acid
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3-[4-({3-[3-Methoxy-4-({[2-(propan-2-yl)phenyl]carbamoyl}amino)phenyl]-2-oxo-1,2-dihydropyridin-1-yl}methyl)phenyl]propanoic acid
CID 23647661
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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[4-methoxy-3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-(3-methoxyphenyl)acetamide (CID 42869787) is N-[4-methoxy-3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-methoxy-3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-methoxy-3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)Nc2ccc(OC)c(N3CCCN(Cc4ccc(C(C)C)cc4)C3=O)c2)c1.
What is the InChIKey of N-[4-methoxy-3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is GMZQALADYABIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O4/c1-21(2)24-11-9-22(10-12-24)20-32-15-6-16-33(30(32)35)27-19-25(13-14-28(27)37-4)31-29(34)18-23-7-5-8-26(17-23)36-3/h5,7-14,17,19,21H,6,15-16,18,20H2,1-4H3,(H,31,34).
What are the key properties of N-[4-methoxy-3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-(3-methoxyphenyl)acetamide?
N-[4-methoxy-3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 501.63 g/mol, XLogP of 5.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 42869787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).