benzyl N-[(R)-[(1R,2R)-2-(benzylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate

C26H26N2O3 — CID 3247267

IUPACbenzyl N-[(R)-[(1R,2R)-2-(benzylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate
SMILESO=C(N[C@@H](c1ccccc1)[C@@H]1C[C@H]1C(=O)NCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C26H26N2O3/c29-25(27-17-19-10-4-1-5-11-19)23-16-22(23)24(21-14-8-3-9-15-21)28-26(30)31-18-20-12-6-2-7-13-20/h1-15,22-24H,16-18H2,(H,27,29)(H,28,30)/t22-,23-,24+/m1/s1
InChIKeyRIIJQTXQLSQJRD-SMIHKQSGSA-N
MW414.51 g/mol
LogP4.61
Rot. Bonds8

About benzyl N-[(R)-[(1R,2R)-2-(benzylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate

benzyl N-[(R)-[(1R,2R)-2-(benzylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate (PubChem CID 3247267) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is benzyl N-[(R)-[(1R,2R)-2-(benzylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(R)-[(1R,2R)-2-(benzylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate
PubChem CID3247267
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Namebenzyl N-[(R)-[(1R,2R)-2-(benzylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate
SMILESO=C(N[C@@H](c1ccccc1)[C@@H]1C[C@H]1C(=O)NCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C26H26N2O3/c29-25(27-17-19-10-4-1-5-11-19)23-16-22(23)24(21-14-8-3-9-15-21)28-26(30)31-18-20-12-6-2-7-13-20/h1-15,22-24H,16-18H2,(H,27,29)(H,28,30)/t22-,23-,24+/m1/s1
InChIKeyRIIJQTXQLSQJRD-SMIHKQSGSA-N
XLogP4.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-({2-methyl-2-[(propan-2-yl)carbamoyl]cyclopropyl}(phenyl)methyl)carbamate
CID 56947089
(S)-benzyl 1-(2-benzyl-2-cyano-1-methylhydrazinyl)-1-oxo-3-phenylpropan-2-ylcarbamate
CID 24898024
Cathepsin L Inhibitor I
CID 16760359
[(S)-1-((S)-1-Benzyl-2-oxo-ethylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester
CID 455772
[1-(1-Formyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester(Cbz-Phe-Phe-CHO)
CID 44342482
(S)-Benzyl (1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
CID 2755911
benzyl N-[(R)-[(1S,2S)-2-methyl-2-[(propan-2-yl)carbamoyl]cyclopropyl](phenyl)methyl]carbamate
CID 56947088
benzyl 1-((4S)-4-(cyclobutanecarboxamido)-4-phenylbutan-2-yl)piperidin-4-yl(ethyl)carbamate
CID 44590752
Nalpha-[(benzyloxy)carbonyl]-N-cyclopropylphenylalaninamide
CID 2974355
[2''-(3-Methyl-butylcarbamoyl)-biphenyl-2-ylmethyl]-carbamic acid benzyl ester
CID 9932430
(S)-benzyl 1-(benzylamino)-8-(hydroxyamino)-1,8-dioxooctan-2-ylcarbamate
CID 11201165
Z-FF-Fmk
CID 11705307

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(R)-[(1R,2R)-2-(benzylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate?
The IUPAC name of benzyl N-[(R)-[(1R,2R)-2-(benzylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate (CID 3247267) is benzyl N-[(R)-[(1R,2R)-2-(benzylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate.
What is the SMILES notation for benzyl N-[(R)-[(1R,2R)-2-(benzylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate?
The canonical SMILES for benzyl N-[(R)-[(1R,2R)-2-(benzylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate is O=C(N[C@@H](c1ccccc1)[C@@H]1C[C@H]1C(=O)NCc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(R)-[(1R,2R)-2-(benzylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate?
The InChIKey is RIIJQTXQLSQJRD-SMIHKQSGSA-N. The full InChI is InChI=1S/C26H26N2O3/c29-25(27-17-19-10-4-1-5-11-19)23-16-22(23)24(21-14-8-3-9-15-21)28-26(30)31-18-20-12-6-2-7-13-20/h1-15,22-24H,16-18H2,(H,27,29)(H,28,30)/t22-,23-,24+/m1/s1.
What are the key properties of benzyl N-[(R)-[(1R,2R)-2-(benzylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate?
benzyl N-[(R)-[(1R,2R)-2-(benzylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate has a molecular weight of 414.51 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(R)-[(1R,2R)-2-(benzylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate is sourced from PubChem (CID 3247267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).