tert-butyl N-[[2-[[3-oxo-3-(propylamino)propyl]amino]cyclohexyl]methyl]carbamate

C18H35N3O3 — CID 113242209

IUPACtert-butyl N-[[2-[[3-oxo-3-(propylamino)propyl]amino]cyclohexyl]methyl]carbamate
SMILESCCCNC(=O)CCNC1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H35N3O3/c1-5-11-20-16(22)10-12-19-15-9-7-6-8-14(15)13-21-17(23)24-18(2,3)4/h14-15,19H,5-13H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyFQRPIIRYSBNDKN-UHFFFAOYSA-N
MW341.50 g/mol
LogP2.58
Rot. Bonds8

About tert-butyl N-[[2-[[3-oxo-3-(propylamino)propyl]amino]cyclohexyl]methyl]carbamate

tert-butyl N-[[2-[[3-oxo-3-(propylamino)propyl]amino]cyclohexyl]methyl]carbamate (PubChem CID 113242209) has the molecular formula C18H35N3O3 and a molecular weight of 341.50 g/mol. Its IUPAC name is tert-butyl N-[[2-[[3-oxo-3-(propylamino)propyl]amino]cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[[3-oxo-3-(propylamino)propyl]amino]cyclohexyl]methyl]carbamate
PubChem CID113242209
Molecular FormulaC18H35N3O3
Molecular Weight341.50 g/mol
Exact Mass341.27
IUPAC Nametert-butyl N-[[2-[[3-oxo-3-(propylamino)propyl]amino]cyclohexyl]methyl]carbamate
SMILESCCCNC(=O)CCNC1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H35N3O3/c1-5-11-20-16(22)10-12-19-15-9-7-6-8-14(15)13-21-17(23)24-18(2,3)4/h14-15,19H,5-13H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyFQRPIIRYSBNDKN-UHFFFAOYSA-N
XLogP2.58
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[2-[[3-oxo-3-(propylamino)propyl]amino]cyclohexyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclohexyl]methyl]carbamate
CID 107446347
tert-butyl N-[[2-[[3-(dimethylamino)-3-oxopropyl]amino]cyclopentyl]methyl]carbamate
CID 103695707
tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 107446348
tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate
CID 107251493
tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 83112671
tert-butyl N-[[2-(2-methylpentylamino)cyclohexyl]methyl]carbamate
CID 107251414
tert-butyl N-[[2-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]methyl]carbamate
CID 103695845
tert-butyl N-[[2-[(2-methylcyclopropyl)methylamino]cyclopentyl]methyl]carbamate
CID 115970935
tert-butyl N-[[2-(oxan-4-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103695505
tert-butyl N-[[2-[4-(2-methoxyethoxy)butylamino]cyclohexyl]methyl]carbamate
CID 113356854
tert-butyl N-[[2-(oxan-3-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103695439
tert-butyl N-[[2-(2-prop-2-ynylsulfanylethylamino)cyclohexyl]methyl]carbamate
CID 103949273

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[[3-oxo-3-(propylamino)propyl]amino]cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[[3-oxo-3-(propylamino)propyl]amino]cyclohexyl]methyl]carbamate (CID 113242209) is tert-butyl N-[[2-[[3-oxo-3-(propylamino)propyl]amino]cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[[3-oxo-3-(propylamino)propyl]amino]cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[[3-oxo-3-(propylamino)propyl]amino]cyclohexyl]methyl]carbamate is CCCNC(=O)CCNC1CCCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-[[3-oxo-3-(propylamino)propyl]amino]cyclohexyl]methyl]carbamate?
The InChIKey is FQRPIIRYSBNDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O3/c1-5-11-20-16(22)10-12-19-15-9-7-6-8-14(15)13-21-17(23)24-18(2,3)4/h14-15,19H,5-13H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of tert-butyl N-[[2-[[3-oxo-3-(propylamino)propyl]amino]cyclohexyl]methyl]carbamate?
tert-butyl N-[[2-[[3-oxo-3-(propylamino)propyl]amino]cyclohexyl]methyl]carbamate has a molecular weight of 341.50 g/mol, XLogP of 2.58, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[[3-oxo-3-(propylamino)propyl]amino]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 113242209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).