2-methylpropyl N-(2-amino-3-phenylpropyl)carbamate

C14H22N2O2 — CID 90766727

IUPAC2-methylpropyl N-(2-amino-3-phenylpropyl)carbamate
SMILESCC(C)COC(=O)NCC(N)Cc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-11(2)10-18-14(17)16-9-13(15)8-12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H,16,17)
InChIKeyMTQMOGHRMIOFRG-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.94
Rot. Bonds6

About 2-methylpropyl N-(2-amino-3-phenylpropyl)carbamate

2-methylpropyl N-(2-amino-3-phenylpropyl)carbamate (PubChem CID 90766727) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-methylpropyl N-(2-amino-3-phenylpropyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(2-amino-3-phenylpropyl)carbamate
PubChem CID90766727
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-methylpropyl N-(2-amino-3-phenylpropyl)carbamate
SMILESCC(C)COC(=O)NCC(N)Cc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-11(2)10-18-14(17)16-9-13(15)8-12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H,16,17)
InChIKeyMTQMOGHRMIOFRG-UHFFFAOYSA-N
XLogP1.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-3-phenylpropyl)urea
CID 137464572
(2-amino-3-phenylpropyl) N-(2-amino-2-oxoethyl)carbamate
CID 140687105
N-[(2R)-2-amino-3-phenylpropyl]-2-phenylacetamide
CID 42645987
[(2S)-2-amino-3-phenylpropyl] 2-methylpropanoate;hydrochloride
CID 68669537
methyl 4-[[(2R)-2-amino-3-phenylpropyl]carbamoyl]benzoate
CID 141178537
methyl propanoate;2-methylpropyl N-benzylcarbamate
CID 67451217
2-methylpropyl N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 142588377
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate
CID 172866706
4-[(2-methylpropoxycarbonylamino)methyl]benzoic acid
CID 43176413
2-methylpropyl N-[1-(benzylamino)-1-oxopropan-2-yl]carbamate
CID 123797558
(2-amino-3-phenylpropoxy)carbonylazanium
CID 152772339

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(2-amino-3-phenylpropyl)carbamate?
The IUPAC name of 2-methylpropyl N-(2-amino-3-phenylpropyl)carbamate (CID 90766727) is 2-methylpropyl N-(2-amino-3-phenylpropyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(2-amino-3-phenylpropyl)carbamate?
The canonical SMILES for 2-methylpropyl N-(2-amino-3-phenylpropyl)carbamate is CC(C)COC(=O)NCC(N)Cc1ccccc1.
What is the InChIKey of 2-methylpropyl N-(2-amino-3-phenylpropyl)carbamate?
The InChIKey is MTQMOGHRMIOFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)10-18-14(17)16-9-13(15)8-12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-methylpropyl N-(2-amino-3-phenylpropyl)carbamate?
2-methylpropyl N-(2-amino-3-phenylpropyl)carbamate has a molecular weight of 250.34 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(2-amino-3-phenylpropyl)carbamate is sourced from PubChem (CID 90766727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).