tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propyl]carbamate

C24H46N2O4 — CID 135248450

IUPACtert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propyl]carbamate
SMILESCCCCCN(CCCN(C(=O)OC(C)(C)C)C1CCCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C24H46N2O4/c1-8-9-13-17-25(21(27)29-23(2,3)4)18-14-19-26(20-15-11-10-12-16-20)22(28)30-24(5,6)7/h20H,8-19H2,1-7H3
InChIKeyAKVAARISACGYFP-UHFFFAOYSA-N
MW426.64 g/mol
LogP6.37
Rot. Bonds9

About tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propyl]carbamate

tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propyl]carbamate (PubChem CID 135248450) has the molecular formula C24H46N2O4 and a molecular weight of 426.64 g/mol. Its IUPAC name is tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propyl]carbamate
PubChem CID135248450
Molecular FormulaC24H46N2O4
Molecular Weight426.64 g/mol
Exact Mass426.35
IUPAC Nametert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propyl]carbamate
SMILESCCCCCN(CCCN(C(=O)OC(C)(C)C)C1CCCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C24H46N2O4/c1-8-9-13-17-25(21(27)29-23(2,3)4)18-14-19-26(20-15-11-10-12-16-20)22(28)30-24(5,6)7/h20H,8-19H2,1-7H3
InChIKeyAKVAARISACGYFP-UHFFFAOYSA-N
XLogP6.37
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.64
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[3-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 135248445
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
tert-butyl N,N-dipentylcarbamate
CID 65142743
tert-butyl N-cyclohexyl-N-[2-[4-hydroxypentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 139937632
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314
tert-butyl N-[3-[2-(aminomethyl)-1,3-oxazol-4-yl]propyl]-N-[3-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]carbamate
CID 135231781
tert-butyl N-[3-(benzenesulfonyl)propyl]-N-cyclohexylcarbamate
CID 19593183
tert-butyl N-butyl-N-(2-chloroethyl)carbamate
CID 114293365
ethyl 3-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 22397343
2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 22476048
tert-butyl N-cycloheptyl-N-[2-(pentan-3-ylamino)ethyl]carbamate
CID 107251904
tert-butyl N-cyclohexyl-N-(2-hydroxy-2-methylbutyl)carbamate
CID 174542178

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propyl]carbamate (CID 135248450) is tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propyl]carbamate is CCCCCN(CCCN(C(=O)OC(C)(C)C)C1CCCCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propyl]carbamate?
The InChIKey is AKVAARISACGYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2O4/c1-8-9-13-17-25(21(27)29-23(2,3)4)18-14-19-26(20-15-11-10-12-16-20)22(28)30-24(5,6)7/h20H,8-19H2,1-7H3.
What are the key properties of tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propyl]carbamate?
tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propyl]carbamate has a molecular weight of 426.64 g/mol, XLogP of 6.37, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propyl]carbamate is sourced from PubChem (CID 135248450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).