N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-5-phenyl-1H-pyrrole-2-carboxamide

C26H29N3O3 — CID 3179710

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-5-phenyl-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(CN(CC(=O)NC2CCCC2)C(=O)c2ccc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C26H29N3O3/c1-32-22-13-11-19(12-14-22)17-29(18-25(30)27-21-9-5-6-10-21)26(31)24-16-15-23(28-24)20-7-3-2-4-8-20/h2-4,7-8,11-16,21,28H,5-6,9-10,17-18H2,1H3,(H,27,30)
InChIKeyALGUJWFIOSCODH-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.39
Rot. Bonds8

About N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-5-phenyl-1H-pyrrole-2-carboxamide

N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-5-phenyl-1H-pyrrole-2-carboxamide (PubChem CID 3179710) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-5-phenyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-5-phenyl-1H-pyrrole-2-carboxamide
PubChem CID3179710
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-5-phenyl-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(CN(CC(=O)NC2CCCC2)C(=O)c2ccc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C26H29N3O3/c1-32-22-13-11-19(12-14-22)17-29(18-25(30)27-21-9-5-6-10-21)26(31)24-16-15-23(28-24)20-7-3-2-4-8-20/h2-4,7-8,11-16,21,28H,5-6,9-10,17-18H2,1H3,(H,27,30)
InChIKeyALGUJWFIOSCODH-UHFFFAOYSA-N
XLogP4.39
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-5-phenyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-5-phenyl-1H-pyrrole-2-carboxamide (CID 3179710) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-5-phenyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-5-phenyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-5-phenyl-1H-pyrrole-2-carboxamide is COc1ccc(CN(CC(=O)NC2CCCC2)C(=O)c2ccc(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-5-phenyl-1H-pyrrole-2-carboxamide?
The InChIKey is ALGUJWFIOSCODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-32-22-13-11-19(12-14-22)17-29(18-25(30)27-21-9-5-6-10-21)26(31)24-16-15-23(28-24)20-7-3-2-4-8-20/h2-4,7-8,11-16,21,28H,5-6,9-10,17-18H2,1H3,(H,27,30).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-5-phenyl-1H-pyrrole-2-carboxamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-5-phenyl-1H-pyrrole-2-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-5-phenyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3179710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).