[2-[2-(butoxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate

C19H27NO5 — CID 123775950

IUPAC[2-[2-(butoxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate
SMILESCCCCOC(=O)NC1CC1c1ccccc1OC(=O)OC(C)(C)C
InChIInChI=1S/C19H27NO5/c1-5-6-11-23-17(21)20-15-12-14(15)13-9-7-8-10-16(13)24-18(22)25-19(2,3)4/h7-10,14-15H,5-6,11-12H2,1-4H3,(H,20,21)
InChIKeyONNCJNUCGKDAGM-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.38
Rot. Bonds6

About [2-[2-(butoxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate

[2-[2-(butoxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate (PubChem CID 123775950) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is [2-[2-(butoxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate.

Molecular Properties

Compound Name[2-[2-(butoxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate
PubChem CID123775950
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Name[2-[2-(butoxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate
SMILESCCCCOC(=O)NC1CC1c1ccccc1OC(=O)OC(C)(C)C
InChIInChI=1S/C19H27NO5/c1-5-6-11-23-17(21)20-15-12-14(15)13-9-7-8-10-16(13)24-18(22)25-19(2,3)4/h7-10,14-15H,5-6,11-12H2,1-4H3,(H,20,21)
InChIKeyONNCJNUCGKDAGM-UHFFFAOYSA-N
XLogP4.38
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(butan-2-yloxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate
CID 123807882
butyl [3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]phenyl] carbonate
CID 123973069
tert-butyl N-[3-[[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]amino]-3-oxopropyl]carbamate
CID 95331057
tert-butyl N-[3-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]amino]-3-oxopropyl]carbamate
CID 95331056
[4-(2-acetamidocyclopropyl)furan-3-yl] tert-butyl carbonate
CID 123678455
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461
tert-butyl 2-[2-[(1S,2R)-2-(butan-2-yloxycarbonylamino)cyclopropyl]phenyl]acetate
CID 121309335
tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]carbamate;carbonic acid
CID 70980362
(2-cyclohexylphenyl) pentyl carbonate
CID 154072254
butyl N-(4-hydroxy-2-pyridin-2-ylcyclohexyl)carbamate
CID 139650215
5,5-dimethylhexyl N-[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]carbamate
CID 142717274
2-hydroxyethyl N-(2-phenylcyclopropyl)carbamate
CID 79348552

Frequently Asked Questions

What is the IUPAC name of [2-[2-(butoxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate?
The IUPAC name of [2-[2-(butoxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate (CID 123775950) is [2-[2-(butoxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate.
What is the SMILES notation for [2-[2-(butoxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate?
The canonical SMILES for [2-[2-(butoxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate is CCCCOC(=O)NC1CC1c1ccccc1OC(=O)OC(C)(C)C.
What is the InChIKey of [2-[2-(butoxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate?
The InChIKey is ONNCJNUCGKDAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-5-6-11-23-17(21)20-15-12-14(15)13-9-7-8-10-16(13)24-18(22)25-19(2,3)4/h7-10,14-15H,5-6,11-12H2,1-4H3,(H,20,21).
What are the key properties of [2-[2-(butoxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate?
[2-[2-(butoxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate has a molecular weight of 349.43 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(butoxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate is sourced from PubChem (CID 123775950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).