N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide

C26H30N4O3 — CID 139400389

IUPACN-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide
SMILESCCOc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](C)c1cccc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C26H30N4O3/c1-3-33-24-14-19(21-15-27-28-16-21)11-12-23(24)26(32)29-17(2)18-7-6-8-20(13-18)25(31)30-22-9-4-5-10-22/h6-8,11-17,22H,3-5,9-10H2,1-2H3,(H,27,28)(H,29,32)(H,30,31)/t17-/m1/s1
InChIKeyAEFIGQFODUVLFR-QGZVFWFLSA-N
MW446.55 g/mol
LogP4.64
Rot. Bonds8

About N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide

N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 139400389) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide
PubChem CID139400389
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC NameN-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide
SMILESCCOc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](C)c1cccc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C26H30N4O3/c1-3-33-24-14-19(21-15-27-28-16-21)11-12-23(24)26(32)29-17(2)18-7-6-8-20(13-18)25(31)30-22-9-4-5-10-22/h6-8,11-17,22H,3-5,9-10H2,1-2H3,(H,27,28)(H,29,32)(H,30,31)/t17-/m1/s1
InChIKeyAEFIGQFODUVLFR-QGZVFWFLSA-N
XLogP4.64
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide (CID 139400389) is N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide is CCOc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](C)c1cccc(C(=O)NC2CCCC2)c1.
What is the InChIKey of N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is AEFIGQFODUVLFR-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-3-33-24-14-19(21-15-27-28-16-21)11-12-23(24)26(32)29-17(2)18-7-6-8-20(13-18)25(31)30-22-9-4-5-10-22/h6-8,11-17,22H,3-5,9-10H2,1-2H3,(H,27,28)(H,29,32)(H,30,31)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide?
N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 446.55 g/mol, XLogP of 4.64, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 139400389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).