1-[(2-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide

C19H26ClN3O3 — CID 6487905

IUPAC1-[(2-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)NC1(C(=O)NCC2CCCO2)CCCCC1
InChIInChI=1S/C19H26ClN3O3/c20-15-8-2-3-9-16(15)22-18(25)23-19(10-4-1-5-11-19)17(24)21-13-14-7-6-12-26-14/h2-3,8-9,14H,1,4-7,10-13H2,(H,21,24)(H2,22,23,25)
InChIKeyRBGDSOAQMMEQQE-UHFFFAOYSA-N
MW379.89 g/mol
LogP3.46
Rot. Bonds5

About 1-[(2-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide

1-[(2-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 6487905) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID6487905
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name1-[(2-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)NC1(C(=O)NCC2CCCO2)CCCCC1
InChIInChI=1S/C19H26ClN3O3/c20-15-8-2-3-9-16(15)22-18(25)23-19(10-4-1-5-11-19)17(24)21-13-14-7-6-12-26-14/h2-3,8-9,14H,1,4-7,10-13H2,(H,21,24)(H2,22,23,25)
InChIKeyRBGDSOAQMMEQQE-UHFFFAOYSA-N
XLogP3.46
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide (CID 6487905) is 1-[(2-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide is O=C(Nc1ccccc1Cl)NC1(C(=O)NCC2CCCO2)CCCCC1.
What is the InChIKey of 1-[(2-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is RBGDSOAQMMEQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c20-15-8-2-3-9-16(15)22-18(25)23-19(10-4-1-5-11-19)17(24)21-13-14-7-6-12-26-14/h2-3,8-9,14H,1,4-7,10-13H2,(H,21,24)(H2,22,23,25).
What are the key properties of 1-[(2-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
1-[(2-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 379.89 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 6487905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).