3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide

C24H38N4O3 — CID 86962709

IUPAC3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCOc1ccc(C(CNC(=O)NC2CCCC(C(=O)NC(C)C)C2)N2CCCC2)cc1
InChIInChI=1S/C24H38N4O3/c1-17(2)26-23(29)19-7-6-8-20(15-19)27-24(30)25-16-22(28-13-4-5-14-28)18-9-11-21(31-3)12-10-18/h9-12,17,19-20,22H,4-8,13-16H2,1-3H3,(H,26,29)(H2,25,27,30)
InChIKeyCBEODWFDYPHVNN-UHFFFAOYSA-N
MW430.59 g/mol
LogP3.21
Rot. Bonds8

About 3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide

3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 86962709) has the molecular formula C24H38N4O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is 3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID86962709
Molecular FormulaC24H38N4O3
Molecular Weight430.59 g/mol
Exact Mass430.29
IUPAC Name3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCOc1ccc(C(CNC(=O)NC2CCCC(C(=O)NC(C)C)C2)N2CCCC2)cc1
InChIInChI=1S/C24H38N4O3/c1-17(2)26-23(29)19-7-6-8-20(15-19)27-24(30)25-16-22(28-13-4-5-14-28)18-9-11-21(31-3)12-10-18/h9-12,17,19-20,22H,4-8,13-16H2,1-3H3,(H,26,29)(H2,25,27,30)
InChIKeyCBEODWFDYPHVNN-UHFFFAOYSA-N
XLogP3.21
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide (CID 86962709) is 3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide is COc1ccc(C(CNC(=O)NC2CCCC(C(=O)NC(C)C)C2)N2CCCC2)cc1.
What is the InChIKey of 3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is CBEODWFDYPHVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O3/c1-17(2)26-23(29)19-7-6-8-20(15-19)27-24(30)25-16-22(28-13-4-5-14-28)18-9-11-21(31-3)12-10-18/h9-12,17,19-20,22H,4-8,13-16H2,1-3H3,(H,26,29)(H2,25,27,30).
What are the key properties of 3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide?
3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 430.59 g/mol, XLogP of 3.21, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 86962709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).