1-(benzylcarbamoylamino)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide

C20H29N3O3 — CID 6487843

IUPAC1-(benzylcarbamoylamino)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1ccccc1)NC1(C(=O)NCC2CCCO2)CCCCC1
InChIInChI=1S/C20H29N3O3/c24-18(21-15-17-10-7-13-26-17)20(11-5-2-6-12-20)23-19(25)22-14-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2,(H,21,24)(H2,22,23,25)
InChIKeyGXCARENKVWLPKV-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.48
Rot. Bonds6

About 1-(benzylcarbamoylamino)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide

1-(benzylcarbamoylamino)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 6487843) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-(benzylcarbamoylamino)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(benzylcarbamoylamino)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID6487843
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-(benzylcarbamoylamino)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1ccccc1)NC1(C(=O)NCC2CCCO2)CCCCC1
InChIInChI=1S/C20H29N3O3/c24-18(21-15-17-10-7-13-26-17)20(11-5-2-6-12-20)23-19(25)22-14-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2,(H,21,24)(H2,22,23,25)
InChIKeyGXCARENKVWLPKV-UHFFFAOYSA-N
XLogP2.48
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzylcarbamoylamino)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(benzylcarbamoylamino)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide (CID 6487843) is 1-(benzylcarbamoylamino)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(benzylcarbamoylamino)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(benzylcarbamoylamino)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide is O=C(NCc1ccccc1)NC1(C(=O)NCC2CCCO2)CCCCC1.
What is the InChIKey of 1-(benzylcarbamoylamino)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is GXCARENKVWLPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c24-18(21-15-17-10-7-13-26-17)20(11-5-2-6-12-20)23-19(25)22-14-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2,(H,21,24)(H2,22,23,25).
What are the key properties of 1-(benzylcarbamoylamino)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
1-(benzylcarbamoylamino)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylcarbamoylamino)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 6487843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).