N-[(1R,2S)-2-(cyclopentylcarbamoyl)cyclopentyl]-4-methoxybenzamide

C19H26N2O3 — CID 91925562

IUPACN-[(1R,2S)-2-(cyclopentylcarbamoyl)cyclopentyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NC2CCCC2)cc1
InChIInChI=1S/C19H26N2O3/c1-24-15-11-9-13(10-12-15)18(22)21-17-8-4-7-16(17)19(23)20-14-5-2-3-6-14/h9-12,14,16-17H,2-8H2,1H3,(H,20,23)(H,21,22)/t16-,17+/m0/s1
InChIKeyUMECPBIDLQCZBJ-DLBZAZTESA-N
MW330.43 g/mol
LogP2.65
Rot. Bonds5

About N-[(1R,2S)-2-(cyclopentylcarbamoyl)cyclopentyl]-4-methoxybenzamide

N-[(1R,2S)-2-(cyclopentylcarbamoyl)cyclopentyl]-4-methoxybenzamide (PubChem CID 91925562) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(1R,2S)-2-(cyclopentylcarbamoyl)cyclopentyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(cyclopentylcarbamoyl)cyclopentyl]-4-methoxybenzamide
PubChem CID91925562
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[(1R,2S)-2-(cyclopentylcarbamoyl)cyclopentyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NC2CCCC2)cc1
InChIInChI=1S/C19H26N2O3/c1-24-15-11-9-13(10-12-15)18(22)21-17-8-4-7-16(17)19(23)20-14-5-2-3-6-14/h9-12,14,16-17H,2-8H2,1H3,(H,20,23)(H,21,22)/t16-,17+/m0/s1
InChIKeyUMECPBIDLQCZBJ-DLBZAZTESA-N
XLogP2.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(cyclopentylcarbamoyl)cyclopentyl]-4-methoxybenzamide?
The IUPAC name of N-[(1R,2S)-2-(cyclopentylcarbamoyl)cyclopentyl]-4-methoxybenzamide (CID 91925562) is N-[(1R,2S)-2-(cyclopentylcarbamoyl)cyclopentyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(1R,2S)-2-(cyclopentylcarbamoyl)cyclopentyl]-4-methoxybenzamide?
The canonical SMILES for N-[(1R,2S)-2-(cyclopentylcarbamoyl)cyclopentyl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NC2CCCC2)cc1.
What is the InChIKey of N-[(1R,2S)-2-(cyclopentylcarbamoyl)cyclopentyl]-4-methoxybenzamide?
The InChIKey is UMECPBIDLQCZBJ-DLBZAZTESA-N. The full InChI is InChI=1S/C19H26N2O3/c1-24-15-11-9-13(10-12-15)18(22)21-17-8-4-7-16(17)19(23)20-14-5-2-3-6-14/h9-12,14,16-17H,2-8H2,1H3,(H,20,23)(H,21,22)/t16-,17+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(cyclopentylcarbamoyl)cyclopentyl]-4-methoxybenzamide?
N-[(1R,2S)-2-(cyclopentylcarbamoyl)cyclopentyl]-4-methoxybenzamide has a molecular weight of 330.43 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(cyclopentylcarbamoyl)cyclopentyl]-4-methoxybenzamide is sourced from PubChem (CID 91925562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).