benzyl N-[2-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]furan-2-yl]propan-2-yl]carbamate

C23H30N2O5 — CID 58430940

IUPACbenzyl N-[2-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]furan-2-yl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(C(C)(C)NC(=O)OCc3ccccc3)o2)CC1
InChIInChI=1S/C23H30N2O5/c1-21(2,3)30-20(27)25-23(13-14-23)18-12-11-17(29-18)22(4,5)24-19(26)28-15-16-9-7-6-8-10-16/h6-12H,13-15H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyJVIAXNBXODKNMR-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.95
Rot. Bonds6

About benzyl N-[2-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]furan-2-yl]propan-2-yl]carbamate

benzyl N-[2-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]furan-2-yl]propan-2-yl]carbamate (PubChem CID 58430940) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is benzyl N-[2-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]furan-2-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]furan-2-yl]propan-2-yl]carbamate
PubChem CID58430940
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Namebenzyl N-[2-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]furan-2-yl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(C(C)(C)NC(=O)OCc3ccccc3)o2)CC1
InChIInChI=1S/C23H30N2O5/c1-21(2,3)30-20(27)25-23(13-14-23)18-12-11-17(29-18)22(4,5)24-19(26)28-15-16-9-7-6-8-10-16/h6-12H,13-15H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyJVIAXNBXODKNMR-UHFFFAOYSA-N
XLogP4.95
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze benzyl N-[2-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]furan-2-yl]propan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[2.2.2]octanyl]carbamate
CID 135397622
benzyl N-[1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]cyclopropyl]carbamate
CID 90280235
benzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]methyl]carbamate
CID 166000369
tert-butyl (3E)-3-hydrazinylidene-4-(phenylmethoxycarbonylamino)bicyclo[2.2.2]octane-1-carboxylate
CID 177209320
trans-benzyl (1S,3R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 15431586
tert-butyl N-[1-(phenylmethoxymethyl)cyclopropyl]carbamate
CID 10934734
benzyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 19691286
benzyl 2-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetan-3-yl]propanoate
CID 135742613
4-[1-(phenylmethoxycarbonylamino)cyclopropyl]benzoic acid
CID 165466082
tert-butyl N-[1-(2-phenylmethoxyethyl)cyclopropyl]carbamate
CID 118177257
trans-benzyl (1S,2S)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 11023608
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 15286885

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]furan-2-yl]propan-2-yl]carbamate?
The IUPAC name of benzyl N-[2-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]furan-2-yl]propan-2-yl]carbamate (CID 58430940) is benzyl N-[2-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]furan-2-yl]propan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[2-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]furan-2-yl]propan-2-yl]carbamate?
The canonical SMILES for benzyl N-[2-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]furan-2-yl]propan-2-yl]carbamate is CC(C)(C)OC(=O)NC1(c2ccc(C(C)(C)NC(=O)OCc3ccccc3)o2)CC1.
What is the InChIKey of benzyl N-[2-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]furan-2-yl]propan-2-yl]carbamate?
The InChIKey is JVIAXNBXODKNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-21(2,3)30-20(27)25-23(13-14-23)18-12-11-17(29-18)22(4,5)24-19(26)28-15-16-9-7-6-8-10-16/h6-12H,13-15H2,1-5H3,(H,24,26)(H,25,27).
What are the key properties of benzyl N-[2-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]furan-2-yl]propan-2-yl]carbamate?
benzyl N-[2-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]furan-2-yl]propan-2-yl]carbamate has a molecular weight of 414.50 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]furan-2-yl]propan-2-yl]carbamate is sourced from PubChem (CID 58430940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).