(2R)-N-cyclohexyl-2-[(cyclopentanecarbonylamino)carbamoyl]pyrrolidine-1-carboxamide

C18H30N4O3 — CID 94790588

IUPAC(2R)-N-cyclohexyl-2-[(cyclopentanecarbonylamino)carbamoyl]pyrrolidine-1-carboxamide
SMILESO=C(NNC(=O)[C@H]1CCCN1C(=O)NC1CCCCC1)C1CCCC1
InChIInChI=1S/C18H30N4O3/c23-16(13-7-4-5-8-13)20-21-17(24)15-11-6-12-22(15)18(25)19-14-9-2-1-3-10-14/h13-15H,1-12H2,(H,19,25)(H,20,23)(H,21,24)/t15-/m1/s1
InChIKeyZEVFIURSDDWMOY-OAHLLOKOSA-N
MW350.46 g/mol
LogP1.83
Rot. Bonds3

About (2R)-N-cyclohexyl-2-[(cyclopentanecarbonylamino)carbamoyl]pyrrolidine-1-carboxamide

(2R)-N-cyclohexyl-2-[(cyclopentanecarbonylamino)carbamoyl]pyrrolidine-1-carboxamide (PubChem CID 94790588) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[(cyclopentanecarbonylamino)carbamoyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[(cyclopentanecarbonylamino)carbamoyl]pyrrolidine-1-carboxamide
PubChem CID94790588
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name(2R)-N-cyclohexyl-2-[(cyclopentanecarbonylamino)carbamoyl]pyrrolidine-1-carboxamide
SMILESO=C(NNC(=O)[C@H]1CCCN1C(=O)NC1CCCCC1)C1CCCC1
InChIInChI=1S/C18H30N4O3/c23-16(13-7-4-5-8-13)20-21-17(24)15-11-6-12-22(15)18(25)19-14-9-2-1-3-10-14/h13-15H,1-12H2,(H,19,25)(H,20,23)(H,21,24)/t15-/m1/s1
InChIKeyZEVFIURSDDWMOY-OAHLLOKOSA-N
XLogP1.83
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-N-cyclohexyl-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide
CID 1445867
(2R)-1-(cyclopentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78922982
(2R)-1-(cyclobutylcarbamoyl)piperidine-2-carboxylic acid
CID 94424057
(2S)-1-N-cyclohexyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 1468475
1-(cyclopropylcarbamoyl)piperidine-2-carboxylic acid
CID 61187930
(2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110285757
N-cyclohexyl-2-methylpiperidine-1-carboxamide;ethane
CID 142002534
4-(cyclohexanecarbonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 3218389
(2R)-1-N-cyclohexyl-2-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468740
1-N-cyclohexyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 3219738
N-cyclohexyl-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 127775822
1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355521

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[(cyclopentanecarbonylamino)carbamoyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[(cyclopentanecarbonylamino)carbamoyl]pyrrolidine-1-carboxamide (CID 94790588) is (2R)-N-cyclohexyl-2-[(cyclopentanecarbonylamino)carbamoyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[(cyclopentanecarbonylamino)carbamoyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[(cyclopentanecarbonylamino)carbamoyl]pyrrolidine-1-carboxamide is O=C(NNC(=O)[C@H]1CCCN1C(=O)NC1CCCCC1)C1CCCC1.
What is the InChIKey of (2R)-N-cyclohexyl-2-[(cyclopentanecarbonylamino)carbamoyl]pyrrolidine-1-carboxamide?
The InChIKey is ZEVFIURSDDWMOY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H30N4O3/c23-16(13-7-4-5-8-13)20-21-17(24)15-11-6-12-22(15)18(25)19-14-9-2-1-3-10-14/h13-15H,1-12H2,(H,19,25)(H,20,23)(H,21,24)/t15-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[(cyclopentanecarbonylamino)carbamoyl]pyrrolidine-1-carboxamide?
(2R)-N-cyclohexyl-2-[(cyclopentanecarbonylamino)carbamoyl]pyrrolidine-1-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[(cyclopentanecarbonylamino)carbamoyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 94790588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).