N-[(1S)-1-cyclohexyl-2-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]morpholine-4-carboxamide

C23H38N4O4 — CID 53361861

IUPACN-[(1S)-1-cyclohexyl-2-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]morpholine-4-carboxamide
SMILESO=C(NC1CCCC1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C23H38N4O4/c28-21(24-18-9-4-5-10-18)19-11-6-12-27(19)22(29)20(17-7-2-1-3-8-17)25-23(30)26-13-15-31-16-14-26/h17-20H,1-16H2,(H,24,28)(H,25,30)/t19-,20-/m0/s1
InChIKeyUSRWDRBGEBMCHT-PMACEKPBSA-N
MW434.58 g/mol
LogP2.03
Rot. Bonds5

About N-[(1S)-1-cyclohexyl-2-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]morpholine-4-carboxamide

N-[(1S)-1-cyclohexyl-2-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]morpholine-4-carboxamide (PubChem CID 53361861) has the molecular formula C23H38N4O4 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexyl-2-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexyl-2-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]morpholine-4-carboxamide
PubChem CID53361861
Molecular FormulaC23H38N4O4
Molecular Weight434.58 g/mol
Exact Mass434.29
IUPAC NameN-[(1S)-1-cyclohexyl-2-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]morpholine-4-carboxamide
SMILESO=C(NC1CCCC1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C23H38N4O4/c28-21(24-18-9-4-5-10-18)19-11-6-12-27(19)22(29)20(17-7-2-1-3-8-17)25-23(30)26-13-15-31-16-14-26/h17-20H,1-16H2,(H,24,28)(H,25,30)/t19-,20-/m0/s1
InChIKeyUSRWDRBGEBMCHT-PMACEKPBSA-N
XLogP2.03
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexyl-2-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]morpholine-4-carboxamide?
The IUPAC name of N-[(1S)-1-cyclohexyl-2-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]morpholine-4-carboxamide (CID 53361861) is N-[(1S)-1-cyclohexyl-2-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclohexyl-2-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclohexyl-2-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]morpholine-4-carboxamide is O=C(NC1CCCC1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)N1CCOCC1)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexyl-2-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]morpholine-4-carboxamide?
The InChIKey is USRWDRBGEBMCHT-PMACEKPBSA-N. The full InChI is InChI=1S/C23H38N4O4/c28-21(24-18-9-4-5-10-18)19-11-6-12-27(19)22(29)20(17-7-2-1-3-8-17)25-23(30)26-13-15-31-16-14-26/h17-20H,1-16H2,(H,24,28)(H,25,30)/t19-,20-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexyl-2-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]morpholine-4-carboxamide?
N-[(1S)-1-cyclohexyl-2-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]morpholine-4-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexyl-2-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]morpholine-4-carboxamide is sourced from PubChem (CID 53361861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).