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

C21H24N2O3 — CID 5461313

IUPACbenzyl N-[(R)-[(1R,2R)-2-(dimethylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate
SMILESCN(C)C(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-23(2)20(24)18-13-17(18)19(16-11-7-4-8-12-16)22-21(25)26-14-15-9-5-3-6-10-15/h3-12,17-19H,13-14H2,1-2H3,(H,22,25)/t17-,18-,19+/m1/s1
InChIKeyVOLCWHFFNBBUHL-QRVBRYPASA-N
MW352.43 g/mol
LogP3.38
Rot. Bonds6

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

benzyl N-[(R)-[(1R,2R)-2-(dimethylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate (PubChem CID 5461313) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is benzyl N-[(R)-[(1R,2R)-2-(dimethylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(R)-[(1R,2R)-2-(dimethylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate
PubChem CID5461313
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Namebenzyl N-[(R)-[(1R,2R)-2-(dimethylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate
SMILESCN(C)C(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-23(2)20(24)18-13-17(18)19(16-11-7-4-8-12-16)22-21(25)26-14-15-9-5-3-6-10-15/h3-12,17-19H,13-14H2,1-2H3,(H,22,25)/t17-,18-,19+/m1/s1
InChIKeyVOLCWHFFNBBUHL-QRVBRYPASA-N
XLogP3.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Mdl-28170
CID 72430
benzyl N-({2-methyl-2-[(propan-2-yl)carbamoyl]cyclopropyl}(phenyl)methyl)carbamate
CID 56947089
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
Cbz-L-Phenylalaninal
CID 7021150
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
[(S)-1-((S)-1-Benzyl-2-oxo-ethylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester
CID 10216098
(S)-benzyl 1-(benzylamino)-8-(hydroxyamino)-1,8-dioxooctan-2-ylcarbamate
CID 11201165
Carbobenzyloxy-L-phenylalanyl-L-leucinamide
CID 13386706

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(R)-[(1R,2R)-2-(dimethylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate?
The IUPAC name of benzyl N-[(R)-[(1R,2R)-2-(dimethylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate (CID 5461313) is benzyl N-[(R)-[(1R,2R)-2-(dimethylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate.
What is the SMILES notation for benzyl N-[(R)-[(1R,2R)-2-(dimethylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate?
The canonical SMILES for benzyl N-[(R)-[(1R,2R)-2-(dimethylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate is CN(C)C(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[(R)-[(1R,2R)-2-(dimethylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate?
The InChIKey is VOLCWHFFNBBUHL-QRVBRYPASA-N. The full InChI is InChI=1S/C21H24N2O3/c1-23(2)20(24)18-13-17(18)19(16-11-7-4-8-12-16)22-21(25)26-14-15-9-5-3-6-10-15/h3-12,17-19H,13-14H2,1-2H3,(H,22,25)/t17-,18-,19+/m1/s1.
What are the key properties of benzyl N-[(R)-[(1R,2R)-2-(dimethylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate?
benzyl N-[(R)-[(1R,2R)-2-(dimethylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate has a molecular weight of 352.43 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(R)-[(1R,2R)-2-(dimethylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate is sourced from PubChem (CID 5461313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).