benzyl N-[(R)-phenyl-[(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropyl]methyl]carbamate

C22H26N2O3 — CID 5461351

IUPACbenzyl N-[(R)-phenyl-[(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropyl]methyl]carbamate
SMILESCC(C)NC(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O3/c1-15(2)23-21(25)19-13-18(19)20(17-11-7-4-8-12-17)24-22(26)27-14-16-9-5-3-6-10-16/h3-12,15,18-20H,13-14H2,1-2H3,(H,23,25)(H,24,26)/t18-,19-,20+/m1/s1
InChIKeyWDOGXNCKAXIVDS-AQNXPRMDSA-N
MW366.46 g/mol
LogP3.81
Rot. Bonds7

About benzyl N-[(R)-phenyl-[(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropyl]methyl]carbamate

benzyl N-[(R)-phenyl-[(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropyl]methyl]carbamate (PubChem CID 5461351) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is benzyl N-[(R)-phenyl-[(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropyl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(R)-phenyl-[(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropyl]methyl]carbamate
PubChem CID5461351
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Namebenzyl N-[(R)-phenyl-[(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropyl]methyl]carbamate
SMILESCC(C)NC(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O3/c1-15(2)23-21(25)19-13-18(19)20(17-11-7-4-8-12-17)24-22(26)27-14-16-9-5-3-6-10-16/h3-12,15,18-20H,13-14H2,1-2H3,(H,23,25)(H,24,26)/t18-,19-,20+/m1/s1
InChIKeyWDOGXNCKAXIVDS-AQNXPRMDSA-N
XLogP3.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Mdl-28170
CID 72430
Mdl 201053
CID 122019
benzyl N-({2-methyl-2-[(propan-2-yl)carbamoyl]cyclopropyl}(phenyl)methyl)carbamate
CID 56947089
Z-FA-Fmk
CID 5311161
Nalpha-[(Benzyloxy)carbonyl]-N-{(2s)-1-Oxo-3-[(3s)-2-Oxopyrrolidin-3-Yl]propan-2-Yl}-L-Phenylalaninamide
CID 44578234
Benzyl 1-phenylethylcarbamate
CID 9837961
(S)-Benzyl (1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
CID 2755911
Phenylmethyl N-((1S)-1-(((1-formyl-2-phenylethyl)amino)carbonyl)-2-methylpropyl)carbamate
CID 11199915
benzyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-phenylethyl]carbamate
CID 14655218
Z-Phe-DL-Ala-fluoromethylketone
CID 6915837
Cbz-L-Phenylalaninal
CID 7021150
benzyl N-[(R)-[(1S,2S)-2-methyl-2-[(propan-2-yl)carbamoyl]cyclopropyl](phenyl)methyl]carbamate
CID 56947088

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(R)-phenyl-[(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropyl]methyl]carbamate?
The IUPAC name of benzyl N-[(R)-phenyl-[(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropyl]methyl]carbamate (CID 5461351) is benzyl N-[(R)-phenyl-[(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropyl]methyl]carbamate.
What is the SMILES notation for benzyl N-[(R)-phenyl-[(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropyl]methyl]carbamate?
The canonical SMILES for benzyl N-[(R)-phenyl-[(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropyl]methyl]carbamate is CC(C)NC(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[(R)-phenyl-[(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropyl]methyl]carbamate?
The InChIKey is WDOGXNCKAXIVDS-AQNXPRMDSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15(2)23-21(25)19-13-18(19)20(17-11-7-4-8-12-17)24-22(26)27-14-16-9-5-3-6-10-16/h3-12,15,18-20H,13-14H2,1-2H3,(H,23,25)(H,24,26)/t18-,19-,20+/m1/s1.
What are the key properties of benzyl N-[(R)-phenyl-[(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropyl]methyl]carbamate?
benzyl N-[(R)-phenyl-[(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropyl]methyl]carbamate has a molecular weight of 366.46 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(R)-phenyl-[(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropyl]methyl]carbamate is sourced from PubChem (CID 5461351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).