N-[2-[(4-chlorophenyl)methylamino]-1-(1-methylpyrazol-4-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide

C29H34ClN5O4 — CID 176687209

IUPACN-[2-[(4-chlorophenyl)methylamino]-1-(1-methylpyrazol-4-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide
SMILESCOc1ccc(CCC(=O)N(CCN2CCCC2=O)C(C(=O)NCc2ccc(Cl)cc2)c2cnn(C)c2)cc1
InChIInChI=1S/C29H34ClN5O4/c1-33-20-23(19-32-33)28(29(38)31-18-22-5-10-24(30)11-6-22)35(17-16-34-15-3-4-26(34)36)27(37)14-9-21-7-12-25(39-2)13-8-21/h5-8,10-13,19-20,28H,3-4,9,14-18H2,1-2H3,(H,31,38)
InChIKeyJICXXISBZKSPBQ-UHFFFAOYSA-N
MW552.08 g/mol
LogP3.52
Rot. Bonds12

About N-[2-[(4-chlorophenyl)methylamino]-1-(1-methylpyrazol-4-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide

N-[2-[(4-chlorophenyl)methylamino]-1-(1-methylpyrazol-4-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide (PubChem CID 176687209) has the molecular formula C29H34ClN5O4 and a molecular weight of 552.08 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylamino]-1-(1-methylpyrazol-4-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylamino]-1-(1-methylpyrazol-4-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide
PubChem CID176687209
Molecular FormulaC29H34ClN5O4
Molecular Weight552.08 g/mol
Exact Mass551.23
IUPAC NameN-[2-[(4-chlorophenyl)methylamino]-1-(1-methylpyrazol-4-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide
SMILESCOc1ccc(CCC(=O)N(CCN2CCCC2=O)C(C(=O)NCc2ccc(Cl)cc2)c2cnn(C)c2)cc1
InChIInChI=1S/C29H34ClN5O4/c1-33-20-23(19-32-33)28(29(38)31-18-22-5-10-24(30)11-6-22)35(17-16-34-15-3-4-26(34)36)27(37)14-9-21-7-12-25(39-2)13-8-21/h5-8,10-13,19-20,28H,3-4,9,14-18H2,1-2H3,(H,31,38)
InChIKeyJICXXISBZKSPBQ-UHFFFAOYSA-N
XLogP3.52
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.08
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(4-chlorophenyl)methylamino]-1-(1-methylpyrazol-4-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide with MolForge

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Related Compounds

N-[2-(benzylamino)-2-oxo-1-phenylethyl]-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 176686326
3-(4-hydroxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-1-(1-methylimidazol-4-yl)-2-oxoethyl]-N-(3,3,3-trifluoropropyl)propanamide
CID 176686602
3-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]-N-(3,3,3-trifluoropropyl)propanamide
CID 176687306
N-[(4-chlorophenyl)methyl]-N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]butanamide
CID 133149410
1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one
CID 102373052
N'-[(4-chlorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 18588547
N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-butylpentanamide
CID 163134565
1-[(4-methoxyphenyl)methyl]-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea
CID 8677198
4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108177
2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 133214141
4-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 26690017
1-[3-(4-chlorophenyl)propyl]pyrrolidin-2-one
CID 70380945

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-1-(1-methylpyrazol-4-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-1-(1-methylpyrazol-4-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide (CID 176687209) is N-[2-[(4-chlorophenyl)methylamino]-1-(1-methylpyrazol-4-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylamino]-1-(1-methylpyrazol-4-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylamino]-1-(1-methylpyrazol-4-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide is COc1ccc(CCC(=O)N(CCN2CCCC2=O)C(C(=O)NCc2ccc(Cl)cc2)c2cnn(C)c2)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylamino]-1-(1-methylpyrazol-4-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide?
The InChIKey is JICXXISBZKSPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34ClN5O4/c1-33-20-23(19-32-33)28(29(38)31-18-22-5-10-24(30)11-6-22)35(17-16-34-15-3-4-26(34)36)27(37)14-9-21-7-12-25(39-2)13-8-21/h5-8,10-13,19-20,28H,3-4,9,14-18H2,1-2H3,(H,31,38).
What are the key properties of N-[2-[(4-chlorophenyl)methylamino]-1-(1-methylpyrazol-4-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide?
N-[2-[(4-chlorophenyl)methylamino]-1-(1-methylpyrazol-4-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide has a molecular weight of 552.08 g/mol, XLogP of 3.52, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylamino]-1-(1-methylpyrazol-4-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 176687209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).