benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]cyclobutyl]carbamate

C19H29N3O4 — CID 107241414

IUPACbenzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H29N3O4/c1-19(2,3)26-17(23)21-10-9-20-15-11-16(12-15)22-18(24)25-13-14-7-5-4-6-8-14/h4-8,15-16,20H,9-13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyJJUOUFOPVDLOQQ-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.56
Rot. Bonds7

About benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]cyclobutyl]carbamate

benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]cyclobutyl]carbamate (PubChem CID 107241414) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]cyclobutyl]carbamate
PubChem CID107241414
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Namebenzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H29N3O4/c1-19(2,3)26-17(23)21-10-9-20-15-11-16(12-15)22-18(24)25-13-14-7-5-4-6-8-14/h4-8,15-16,20H,9-13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyJJUOUFOPVDLOQQ-UHFFFAOYSA-N
XLogP2.56
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]ethyl]carbamate
CID 177028190
benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]carbamate
CID 176911085
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate
CID 103392992
benzyl N-[(1R,3S)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]carbamate
CID 20729715
tert-butyl 4-[2-(phenylmethoxycarbonylamino)ethylamino]piperidine-1-carboxylate
CID 18971591
tert-butyl 5-(phenylmethoxycarbonylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 77410972
benzyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]piperidine-1-carboxylate
CID 68754722
benzyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propyl]carbamate
CID 146599653
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 15286885
benzyl N-[3-(3-methylsulfanylbutylamino)cyclobutyl]carbamate
CID 103393780
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]cyclobutyl]carbamate (CID 107241414) is benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]cyclobutyl]carbamate is CC(C)(C)OC(=O)NCCNC1CC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]cyclobutyl]carbamate?
The InChIKey is JJUOUFOPVDLOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-19(2,3)26-17(23)21-10-9-20-15-11-16(12-15)22-18(24)25-13-14-7-5-4-6-8-14/h4-8,15-16,20H,9-13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]cyclobutyl]carbamate?
benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]cyclobutyl]carbamate has a molecular weight of 363.46 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]cyclobutyl]carbamate is sourced from PubChem (CID 107241414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).