tert-butyl N-[2-[(2-methyl-1-phenylpropyl)amino]ethyl]carbamate

C17H28N2O2 — CID 115606965

IUPACtert-butyl N-[2-[(2-methyl-1-phenylpropyl)amino]ethyl]carbamate
SMILESCC(C)C(NCCNC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-13(2)15(14-9-7-6-8-10-14)18-11-12-19-16(20)21-17(3,4)5/h6-10,13,15,18H,11-12H2,1-5H3,(H,19,20)
InChIKeyLDWJWZUWYPVBIS-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.50
Rot. Bonds6

About tert-butyl N-[2-[(2-methyl-1-phenylpropyl)amino]ethyl]carbamate

tert-butyl N-[2-[(2-methyl-1-phenylpropyl)amino]ethyl]carbamate (PubChem CID 115606965) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-methyl-1-phenylpropyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-methyl-1-phenylpropyl)amino]ethyl]carbamate
PubChem CID115606965
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Nametert-butyl N-[2-[(2-methyl-1-phenylpropyl)amino]ethyl]carbamate
SMILESCC(C)C(NCCNC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-13(2)15(14-9-7-6-8-10-14)18-11-12-19-16(20)21-17(3,4)5/h6-10,13,15,18H,11-12H2,1-5H3,(H,19,20)
InChIKeyLDWJWZUWYPVBIS-UHFFFAOYSA-N
XLogP3.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylbutanoic acid
CID 11231294
tert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate
CID 16743802
3-[(2-methyl-1-phenylpropyl)amino]propanoic acid
CID 43234771
tert-butyl N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]carbamate
CID 107711346
N-tert-butyl-3-[(2-methyl-1-phenylpropyl)amino]propanamide
CID 115605278
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
tert-butyl N-[(1R,2R)-2-amino-1-phenylpropyl]carbamate
CID 102077726
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 56828048
tert-butyl N-[(1R,2R)-2-nitro-1-phenylpropyl]carbamate
CID 102077718
tert-butyl N-[(2S,4R)-4-hydroxy-2-phenylpentyl]carbamate
CID 97086612
tert-butyl N-[2-[2-(3-aminophenyl)propanoylamino]ethyl]carbamate
CID 106591886
tert-butyl N-[2-[[(2R)-2-methoxy-2-phenylethyl]carbamoylamino]ethyl]carbamate
CID 95145487

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-methyl-1-phenylpropyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-methyl-1-phenylpropyl)amino]ethyl]carbamate (CID 115606965) is tert-butyl N-[2-[(2-methyl-1-phenylpropyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-methyl-1-phenylpropyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-methyl-1-phenylpropyl)amino]ethyl]carbamate is CC(C)C(NCCNC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-[(2-methyl-1-phenylpropyl)amino]ethyl]carbamate?
The InChIKey is LDWJWZUWYPVBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(2)15(14-9-7-6-8-10-14)18-11-12-19-16(20)21-17(3,4)5/h6-10,13,15,18H,11-12H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[2-[(2-methyl-1-phenylpropyl)amino]ethyl]carbamate?
tert-butyl N-[2-[(2-methyl-1-phenylpropyl)amino]ethyl]carbamate has a molecular weight of 292.42 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-methyl-1-phenylpropyl)amino]ethyl]carbamate is sourced from PubChem (CID 115606965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).