tert-butyl N-[4-[(1-cyclobutylethylamino)methyl]phenyl]carbamate

C18H28N2O2 — CID 118957337

IUPACtert-butyl N-[4-[(1-cyclobutylethylamino)methyl]phenyl]carbamate
SMILESCC(NCc1ccc(NC(=O)OC(C)(C)C)cc1)C1CCC1
InChIInChI=1S/C18H28N2O2/c1-13(15-6-5-7-15)19-12-14-8-10-16(11-9-14)20-17(21)22-18(2,3)4/h8-11,13,15,19H,5-7,12H2,1-4H3,(H,20,21)
InChIKeyRGEGTLHRDKQSES-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.31
Rot. Bonds5

About tert-butyl N-[4-[(1-cyclobutylethylamino)methyl]phenyl]carbamate

tert-butyl N-[4-[(1-cyclobutylethylamino)methyl]phenyl]carbamate (PubChem CID 118957337) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl N-[4-[(1-cyclobutylethylamino)methyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(1-cyclobutylethylamino)methyl]phenyl]carbamate
PubChem CID118957337
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nametert-butyl N-[4-[(1-cyclobutylethylamino)methyl]phenyl]carbamate
SMILESCC(NCc1ccc(NC(=O)OC(C)(C)C)cc1)C1CCC1
InChIInChI=1S/C18H28N2O2/c1-13(15-6-5-7-15)19-12-14-8-10-16(11-9-14)20-17(21)22-18(2,3)4/h8-11,13,15,19H,5-7,12H2,1-4H3,(H,20,21)
InChIKeyRGEGTLHRDKQSES-UHFFFAOYSA-N
XLogP4.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[4-[(cyclohexylamino)methyl]phenyl]carbamate
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methyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methylamino]propanoate
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tert-butyl N-[4-[1-(cyclopentylmethylamino)ethyl]phenyl]carbamate
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4-[[[(1R)-1-cycloheptylethyl]amino]methyl]benzoic acid
CID 81389676
methyl N-[4-[(dicyclopropylmethylamino)methyl]phenyl]carbamate
CID 75427648
tert-butyl N-[4-[[(3-aminocyclopentyl)amino]methyl]phenyl]carbamate
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(1S)-1-cyclobutyl-N-[(4-methylphenyl)methyl]ethanamine
CID 118957385
tert-butyl N-[4-[(trifluoromethylamino)methyl]phenyl]carbamate
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tert-butyl N-[4-[(piperidin-2-ylmethylamino)methyl]phenyl]carbamate
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tert-butyl N-[4-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]phenyl]carbamate
CID 142457429

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(1-cyclobutylethylamino)methyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(1-cyclobutylethylamino)methyl]phenyl]carbamate (CID 118957337) is tert-butyl N-[4-[(1-cyclobutylethylamino)methyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(1-cyclobutylethylamino)methyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(1-cyclobutylethylamino)methyl]phenyl]carbamate is CC(NCc1ccc(NC(=O)OC(C)(C)C)cc1)C1CCC1.
What is the InChIKey of tert-butyl N-[4-[(1-cyclobutylethylamino)methyl]phenyl]carbamate?
The InChIKey is RGEGTLHRDKQSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(15-6-5-7-15)19-12-14-8-10-16(11-9-14)20-17(21)22-18(2,3)4/h8-11,13,15,19H,5-7,12H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[4-[(1-cyclobutylethylamino)methyl]phenyl]carbamate?
tert-butyl N-[4-[(1-cyclobutylethylamino)methyl]phenyl]carbamate has a molecular weight of 304.43 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(1-cyclobutylethylamino)methyl]phenyl]carbamate is sourced from PubChem (CID 118957337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).