benzyl N-[(1R)-1-phenylethyl]carbamate

C16H17NO2 — CID 899806

IUPACbenzyl N-[(1R)-1-phenylethyl]carbamate
SMILESC[C@@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-13(15-10-6-3-7-11-15)17-16(18)19-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyXFSAQXHAIMAZTD-CYBMUJFWSA-N
MW255.32 g/mol
LogP3.67
Rot. Bonds4

About benzyl N-[(1R)-1-phenylethyl]carbamate

benzyl N-[(1R)-1-phenylethyl]carbamate (PubChem CID 899806) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is benzyl N-[(1R)-1-phenylethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R)-1-phenylethyl]carbamate
PubChem CID899806
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namebenzyl N-[(1R)-1-phenylethyl]carbamate
SMILESC[C@@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-13(15-10-6-3-7-11-15)17-16(18)19-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyXFSAQXHAIMAZTD-CYBMUJFWSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-carbobenzoxy-L-phenylalanilol
CID 853481
N-((Phenylmethoxy)carbonyl)-L-phenylalanine ethyl ester
CID 34309
Carbamic acid, N-(1-benzyl-2-hydroxyethyl)-, benzyl ester
CID 52361
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
(S)-benzyl 1-(benzylamino)-8-(hydroxyamino)-1,8-dioxooctan-2-ylcarbamate
CID 11201165
(4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one
CID 69081973
Benzyl hydrogen (1-hydroxy-3-phenylpropan-2-yl)carbonimidate
CID 736170

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R)-1-phenylethyl]carbamate?
The IUPAC name of benzyl N-[(1R)-1-phenylethyl]carbamate (CID 899806) is benzyl N-[(1R)-1-phenylethyl]carbamate.
What is the SMILES notation for benzyl N-[(1R)-1-phenylethyl]carbamate?
The canonical SMILES for benzyl N-[(1R)-1-phenylethyl]carbamate is C[C@@H](NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[(1R)-1-phenylethyl]carbamate?
The InChIKey is XFSAQXHAIMAZTD-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17NO2/c1-13(15-10-6-3-7-11-15)17-16(18)19-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,17,18)/t13-/m1/s1.
What are the key properties of benzyl N-[(1R)-1-phenylethyl]carbamate?
benzyl N-[(1R)-1-phenylethyl]carbamate has a molecular weight of 255.32 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R)-1-phenylethyl]carbamate is sourced from PubChem (CID 899806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).