N-[1-amino-1-oxo-3-[4-(2-oxo-1-phenylpyrrolidin-3-yl)oxyphenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide

C29H30ClN3O5 — CID 11635184

IUPACN-[1-amino-1-oxo-3-[4-(2-oxo-1-phenylpyrrolidin-3-yl)oxyphenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC(Cc2ccc(OC3CCN(c4ccccc4)C3=O)cc2)C(N)=O)cc1Cl
InChIInChI=1S/C29H30ClN3O5/c1-18(2)37-25-13-10-20(17-23(25)30)28(35)32-24(27(31)34)16-19-8-11-22(12-9-19)38-26-14-15-33(29(26)36)21-6-4-3-5-7-21/h3-13,17-18,24,26H,14-16H2,1-2H3,(H2,31,34)(H,32,35)
InChIKeyNTRJHQKNKAVIAI-UHFFFAOYSA-N
MW536.03 g/mol
LogP4.14
Rot. Bonds10

About N-[1-amino-1-oxo-3-[4-(2-oxo-1-phenylpyrrolidin-3-yl)oxyphenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide

N-[1-amino-1-oxo-3-[4-(2-oxo-1-phenylpyrrolidin-3-yl)oxyphenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide (PubChem CID 11635184) has the molecular formula C29H30ClN3O5 and a molecular weight of 536.03 g/mol. Its IUPAC name is N-[1-amino-1-oxo-3-[4-(2-oxo-1-phenylpyrrolidin-3-yl)oxyphenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[1-amino-1-oxo-3-[4-(2-oxo-1-phenylpyrrolidin-3-yl)oxyphenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
PubChem CID11635184
Molecular FormulaC29H30ClN3O5
Molecular Weight536.03 g/mol
Exact Mass535.19
IUPAC NameN-[1-amino-1-oxo-3-[4-(2-oxo-1-phenylpyrrolidin-3-yl)oxyphenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC(Cc2ccc(OC3CCN(c4ccccc4)C3=O)cc2)C(N)=O)cc1Cl
InChIInChI=1S/C29H30ClN3O5/c1-18(2)37-25-13-10-20(17-23(25)30)28(35)32-24(27(31)34)16-19-8-11-22(12-9-19)38-26-14-15-33(29(26)36)21-6-4-3-5-7-21/h3-13,17-18,24,26H,14-16H2,1-2H3,(H2,31,34)(H,32,35)
InChIKeyNTRJHQKNKAVIAI-UHFFFAOYSA-N
XLogP4.14
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.03
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-amino-1-oxo-3-[4-(2-oxo-1-phenylpyrrolidin-3-yl)oxyphenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?
The IUPAC name of N-[1-amino-1-oxo-3-[4-(2-oxo-1-phenylpyrrolidin-3-yl)oxyphenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide (CID 11635184) is N-[1-amino-1-oxo-3-[4-(2-oxo-1-phenylpyrrolidin-3-yl)oxyphenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[1-amino-1-oxo-3-[4-(2-oxo-1-phenylpyrrolidin-3-yl)oxyphenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[1-amino-1-oxo-3-[4-(2-oxo-1-phenylpyrrolidin-3-yl)oxyphenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NC(Cc2ccc(OC3CCN(c4ccccc4)C3=O)cc2)C(N)=O)cc1Cl.
What is the InChIKey of N-[1-amino-1-oxo-3-[4-(2-oxo-1-phenylpyrrolidin-3-yl)oxyphenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?
The InChIKey is NTRJHQKNKAVIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN3O5/c1-18(2)37-25-13-10-20(17-23(25)30)28(35)32-24(27(31)34)16-19-8-11-22(12-9-19)38-26-14-15-33(29(26)36)21-6-4-3-5-7-21/h3-13,17-18,24,26H,14-16H2,1-2H3,(H2,31,34)(H,32,35).
What are the key properties of N-[1-amino-1-oxo-3-[4-(2-oxo-1-phenylpyrrolidin-3-yl)oxyphenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?
N-[1-amino-1-oxo-3-[4-(2-oxo-1-phenylpyrrolidin-3-yl)oxyphenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide has a molecular weight of 536.03 g/mol, XLogP of 4.14, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-1-oxo-3-[4-(2-oxo-1-phenylpyrrolidin-3-yl)oxyphenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide is sourced from PubChem (CID 11635184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).