N-(2,3-dihydro-1H-inden-5-yl)-1-(ethylcarbamoylamino)cyclohexane-1-carboxamide

C19H27N3O2 — CID 646845

IUPACN-(2,3-dihydro-1H-inden-5-yl)-1-(ethylcarbamoylamino)cyclohexane-1-carboxamide
SMILESCCNC(=O)NC1(C(=O)Nc2ccc3c(c2)CCC3)CCCCC1
InChIInChI=1S/C19H27N3O2/c1-2-20-18(24)22-19(11-4-3-5-12-19)17(23)21-16-10-9-14-7-6-8-15(14)13-16/h9-10,13H,2-8,11-12H2,1H3,(H,21,23)(H2,20,22,24)
InChIKeyLPVMIPPFTCURMH-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.14
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-yl)-1-(ethylcarbamoylamino)cyclohexane-1-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-1-(ethylcarbamoylamino)cyclohexane-1-carboxamide (PubChem CID 646845) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-1-(ethylcarbamoylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-1-(ethylcarbamoylamino)cyclohexane-1-carboxamide
PubChem CID646845
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-1-(ethylcarbamoylamino)cyclohexane-1-carboxamide
SMILESCCNC(=O)NC1(C(=O)Nc2ccc3c(c2)CCC3)CCCCC1
InChIInChI=1S/C19H27N3O2/c1-2-20-18(24)22-19(11-4-3-5-12-19)17(23)21-16-10-9-14-7-6-8-15(14)13-16/h9-10,13H,2-8,11-12H2,1H3,(H,21,23)(H2,20,22,24)
InChIKeyLPVMIPPFTCURMH-UHFFFAOYSA-N
XLogP3.14
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-1-(ethylcarbamoylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-1-(ethylcarbamoylamino)cyclohexane-1-carboxamide (CID 646845) is N-(2,3-dihydro-1H-inden-5-yl)-1-(ethylcarbamoylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-1-(ethylcarbamoylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-1-(ethylcarbamoylamino)cyclohexane-1-carboxamide is CCNC(=O)NC1(C(=O)Nc2ccc3c(c2)CCC3)CCCCC1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-1-(ethylcarbamoylamino)cyclohexane-1-carboxamide?
The InChIKey is LPVMIPPFTCURMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-2-20-18(24)22-19(11-4-3-5-12-19)17(23)21-16-10-9-14-7-6-8-15(14)13-16/h9-10,13H,2-8,11-12H2,1H3,(H,21,23)(H2,20,22,24).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-1-(ethylcarbamoylamino)cyclohexane-1-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-1-(ethylcarbamoylamino)cyclohexane-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-1-(ethylcarbamoylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 646845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).