benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate

C17H18N2O2 — CID 46830231

IUPACbenzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate
SMILESNC1CC1c1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C17H18N2O2/c18-16-10-15(16)13-6-8-14(9-7-13)19-17(20)21-11-12-4-2-1-3-5-12/h1-9,15-16H,10-11,18H2,(H,19,20)
InChIKeyINASJSARAJHICW-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.25
Rot. Bonds4

About benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate

benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate (PubChem CID 46830231) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate
PubChem CID46830231
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Namebenzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate
SMILESNC1CC1c1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C17H18N2O2/c18-16-10-15(16)13-6-8-14(9-7-13)19-17(20)21-11-12-4-2-1-3-5-12/h1-9,15-16H,10-11,18H2,(H,19,20)
InChIKeyINASJSARAJHICW-UHFFFAOYSA-N
XLogP3.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Carbamic acid, (2-methylphenyl)-, phenylmethyl ester
CID 895304
N-(3,4-dimethylphenyl)-2-[(phenylmethoxy)carbonylamino]acetamide
CID 824286
benzyl N-[1-[4-(2-aminocyclopropyl)anilino]-1-oxo-3-phenylpropan-2-yl]carbamate;hydrochloride
CID 46830228
benzyl N-[1-[4-(2-aminocyclopropyl)anilino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 46830229
N-[4-(trans-2-aminocyclopropyl)phenyl]-Nalpha-[(benzyloxy)carbonyl]-L-phenylalaninamide hydrochloride
CID 86729877
N-[4-(trans-2-aminocyclopropyl)phenyl]-Nalpha-[(benzyloxy)carbonyl]-D-phenylalaninamide hydrochloride
CID 86729881
(4-chlorophenyl)methyl N-[4-[(3S)-piperidin-3-yl]phenyl]carbamate
CID 67239516
4-Tert-butylbenzyl 4-fluorophenylcarbamate
CID 823436
[3-Methyl-1-(2-p-tolylamino-ethylcarbamoyl)-butyl]-carbamic acid benzyl ester
CID 10960298
[3-Methyl-1-(2-phenylamino-ethylcarbamoyl)-butyl]-carbamic acid benzyl ester
CID 11025400
benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate;hydrochloride
CID 46830230
benzyl N-(4-selenocyanatophenyl)carbamate
CID 118729595

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate?
The IUPAC name of benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate (CID 46830231) is benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate?
The canonical SMILES for benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate is NC1CC1c1ccc(NC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate?
The InChIKey is INASJSARAJHICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-16-10-15(16)13-6-8-14(9-7-13)19-17(20)21-11-12-4-2-1-3-5-12/h1-9,15-16H,10-11,18H2,(H,19,20).
What are the key properties of benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate?
benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate has a molecular weight of 282.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate is sourced from PubChem (CID 46830231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).