tert-butyl N-[4-[(1-methoxy-3-methylbutan-2-yl)amino]phenyl]carbamate

C17H28N2O3 — CID 103936121

IUPACtert-butyl N-[4-[(1-methoxy-3-methylbutan-2-yl)amino]phenyl]carbamate
SMILESCOCC(Nc1ccc(NC(=O)OC(C)(C)C)cc1)C(C)C
InChIInChI=1S/C17H28N2O3/c1-12(2)15(11-21-6)18-13-7-9-14(10-8-13)19-16(20)22-17(3,4)5/h7-10,12,15,18H,11H2,1-6H3,(H,19,20)
InChIKeySXPNNEVYCVXJCN-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.12
Rot. Bonds6

About tert-butyl N-[4-[(1-methoxy-3-methylbutan-2-yl)amino]phenyl]carbamate

tert-butyl N-[4-[(1-methoxy-3-methylbutan-2-yl)amino]phenyl]carbamate (PubChem CID 103936121) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is tert-butyl N-[4-[(1-methoxy-3-methylbutan-2-yl)amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(1-methoxy-3-methylbutan-2-yl)amino]phenyl]carbamate
PubChem CID103936121
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Nametert-butyl N-[4-[(1-methoxy-3-methylbutan-2-yl)amino]phenyl]carbamate
SMILESCOCC(Nc1ccc(NC(=O)OC(C)(C)C)cc1)C(C)C
InChIInChI=1S/C17H28N2O3/c1-12(2)15(11-21-6)18-13-7-9-14(10-8-13)19-16(20)22-17(3,4)5/h7-10,12,15,18H,11H2,1-6H3,(H,19,20)
InChIKeySXPNNEVYCVXJCN-UHFFFAOYSA-N
XLogP4.12
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[5-[(1-methoxy-3-methylbutan-2-yl)amino]-2-pyridinyl]carbamate
CID 103936619
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tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate
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tert-butyl N-(4-propan-2-ylphenyl)carbamate
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tert-butyl N-[3-(1-methoxybutan-2-ylamino)phenyl]carbamate
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tert-butyl N-[4-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]phenyl]carbamate
CID 142457429
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl N-[4-[1-(3,5-difluorophenyl)ethylamino]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-(methoxycarbamoylamino)phenyl]carbamate
CID 86597246
tert-butyl N-[4-(2,2-difluoroethyl)phenyl]carbamate
CID 122648326

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(1-methoxy-3-methylbutan-2-yl)amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(1-methoxy-3-methylbutan-2-yl)amino]phenyl]carbamate (CID 103936121) is tert-butyl N-[4-[(1-methoxy-3-methylbutan-2-yl)amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(1-methoxy-3-methylbutan-2-yl)amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(1-methoxy-3-methylbutan-2-yl)amino]phenyl]carbamate is COCC(Nc1ccc(NC(=O)OC(C)(C)C)cc1)C(C)C.
What is the InChIKey of tert-butyl N-[4-[(1-methoxy-3-methylbutan-2-yl)amino]phenyl]carbamate?
The InChIKey is SXPNNEVYCVXJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-12(2)15(11-21-6)18-13-7-9-14(10-8-13)19-16(20)22-17(3,4)5/h7-10,12,15,18H,11H2,1-6H3,(H,19,20).
What are the key properties of tert-butyl N-[4-[(1-methoxy-3-methylbutan-2-yl)amino]phenyl]carbamate?
tert-butyl N-[4-[(1-methoxy-3-methylbutan-2-yl)amino]phenyl]carbamate has a molecular weight of 308.42 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(1-methoxy-3-methylbutan-2-yl)amino]phenyl]carbamate is sourced from PubChem (CID 103936121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).