[2-cyclohexyl-2-[[1-cyclohexyl-2-[(5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]ethyl] N-ethylcarbamate

C38H62N6O7 — CID 143353924

About [2-cyclohexyl-2-[[1-cyclohexyl-2-[(5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]ethyl] N-ethylcarbamate

[2-cyclohexyl-2-[[1-cyclohexyl-2-[(5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]ethyl] N-ethylcarbamate (PubChem CID 143353924) has the molecular formula C38H62N6O7 and a molecular weight of 714.95 g/mol. Its IUPAC name is [2-cyclohexyl-2-[[1-cyclohexyl-2-[(5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]ethyl] N-ethylcarbamate.

Molecular Properties

• Compound Name: [2-cyclohexyl-2-[[1-cyclohexyl-2-[(5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]ethyl] N-ethylcarbamate
• PubChem CID: 143353924
• Molecular Formula: C38H62N6O7
• Molecular Weight: 714.95 g/mol
• Exact Mass: 714.47
• IUPAC Name: [2-cyclohexyl-2-[[1-cyclohexyl-2-[(5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]ethyl] N-ethylcarbamate
• SMILES: C=CCNC(=O)C(=O)C(CCCC)NC(=O)C1C2[C@H](CN1C(=O)C(NC(=O)NC(COC(=O)NCC)C1CCCCC1)C1CCCCC1)C2(C)C
• InChI: InChI=1S/C38H62N6O7/c1-6-9-20-27(32(45)34(47)40-21-7-2)41-33(46)31-29-26(38(29,4)5)22-44(31)35(48)30(25-18-14-11-15-19-25)43-36(49)42-28(23-51-37(50)39-8-3)24-16-12-10-13-17-24/h7,24-31H,2,6,8-23H2,1,3-5H3,(H,39,50)(H,40,47)(H,41,46)(H2,42,43,49)/t26-,27?,28?,29?,30?,31?/m0/s1
• InChIKey: FBPUBEBGHUTXJT-PJDMGXAVSA-N
• XLogP: 3.96
• TPSA: 175.04 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	714.95
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-cyclohexyl-2-[[1-cyclohexyl-2-[(5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]ethyl] N-ethylcarbamate?

The IUPAC name of [2-cyclohexyl-2-[[1-cyclohexyl-2-[(5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]ethyl] N-ethylcarbamate (CID 143353924) is [2-cyclohexyl-2-[[1-cyclohexyl-2-[(5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]ethyl] N-ethylcarbamate.

What is the SMILES notation for [2-cyclohexyl-2-[[1-cyclohexyl-2-[(5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]ethyl] N-ethylcarbamate?

The canonical SMILES for [2-cyclohexyl-2-[[1-cyclohexyl-2-[(5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]ethyl] N-ethylcarbamate is C=CCNC(=O)C(=O)C(CCCC)NC(=O)C1C2[C@H](CN1C(=O)C(NC(=O)NC(COC(=O)NCC)C1CCCCC1)C1CCCCC1)C2(C)C.

What is the InChIKey of [2-cyclohexyl-2-[[1-cyclohexyl-2-[(5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]ethyl] N-ethylcarbamate?

The InChIKey is FBPUBEBGHUTXJT-PJDMGXAVSA-N. The full InChI is InChI=1S/C38H62N6O7/c1-6-9-20-27(32(45)34(47)40-21-7-2)41-33(46)31-29-26(38(29,4)5)22-44(31)35(48)30(25-18-14-11-15-19-25)43-36(49)42-28(23-51-37(50)39-8-3)24-16-12-10-13-17-24/h7,24-31H,2,6,8-23H2,1,3-5H3,(H,39,50)(H,40,47)(H,41,46)(H2,42,43,49)/t26-,27?,28?,29?,30?,31?/m0/s1.

What are the key properties of [2-cyclohexyl-2-[[1-cyclohexyl-2-[(5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]ethyl] N-ethylcarbamate?

[2-cyclohexyl-2-[[1-cyclohexyl-2-[(5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]ethyl] N-ethylcarbamate has a molecular weight of 714.95 g/mol, XLogP of 3.96, 17 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-cyclohexyl-2-[[1-cyclohexyl-2-[(5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]ethyl] N-ethylcarbamate is sourced from PubChem (CID 143353924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).