tert-butyl N-[1-[(3-carbamoylphenyl)methylamino]-2-methylpropan-2-yl]carbamate

C17H27N3O3 — CID 103740263

IUPACtert-butyl N-[1-[(3-carbamoylphenyl)methylamino]-2-methylpropan-2-yl]carbamate
SMILESCC(C)(CNCc1cccc(C(N)=O)c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H27N3O3/c1-16(2,3)23-15(22)20-17(4,5)11-19-10-12-7-6-8-13(9-12)14(18)21/h6-9,19H,10-11H2,1-5H3,(H2,18,21)(H,20,22)
InChIKeyZGAWRVHBFXHTPV-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.18
Rot. Bonds6

About tert-butyl N-[1-[(3-carbamoylphenyl)methylamino]-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-[(3-carbamoylphenyl)methylamino]-2-methylpropan-2-yl]carbamate (PubChem CID 103740263) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is tert-butyl N-[1-[(3-carbamoylphenyl)methylamino]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(3-carbamoylphenyl)methylamino]-2-methylpropan-2-yl]carbamate
PubChem CID103740263
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Nametert-butyl N-[1-[(3-carbamoylphenyl)methylamino]-2-methylpropan-2-yl]carbamate
SMILESCC(C)(CNCc1cccc(C(N)=O)c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H27N3O3/c1-16(2,3)23-15(22)20-17(4,5)11-19-10-12-7-6-8-13(9-12)14(18)21/h6-9,19H,10-11H2,1-5H3,(H2,18,21)(H,20,22)
InChIKeyZGAWRVHBFXHTPV-UHFFFAOYSA-N
XLogP2.18
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[(3-carbamoylphenyl)methylamino]acetate
CID 81463312
3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]benzamide
CID 113462736
tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate
CID 137389832
4-[[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]methyl]benzoic acid
CID 107249964
tert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate
CID 141438103
tert-butyl N-[1-[(3,4-dibromophenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 107249883
tert-butyl N-[3-[[[N-[(3-carbamoylphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]pentan-3-yl]carbamate
CID 109451693
3-[[2-(tert-butylamino)ethylamino]methyl]benzamide
CID 107444865
methyl 3-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]benzoate
CID 59713561
3-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]benzamide
CID 61220189
tert-butyl N-[1-[(2-aminophenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 107249937
tert-butyl N-[2-[3-(3-carbamoylphenyl)phenyl]ethyl]carbamate
CID 59316412

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(3-carbamoylphenyl)methylamino]-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(3-carbamoylphenyl)methylamino]-2-methylpropan-2-yl]carbamate (CID 103740263) is tert-butyl N-[1-[(3-carbamoylphenyl)methylamino]-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(3-carbamoylphenyl)methylamino]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(3-carbamoylphenyl)methylamino]-2-methylpropan-2-yl]carbamate is CC(C)(CNCc1cccc(C(N)=O)c1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(3-carbamoylphenyl)methylamino]-2-methylpropan-2-yl]carbamate?
The InChIKey is ZGAWRVHBFXHTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-16(2,3)23-15(22)20-17(4,5)11-19-10-12-7-6-8-13(9-12)14(18)21/h6-9,19H,10-11H2,1-5H3,(H2,18,21)(H,20,22).
What are the key properties of tert-butyl N-[1-[(3-carbamoylphenyl)methylamino]-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-[(3-carbamoylphenyl)methylamino]-2-methylpropan-2-yl]carbamate has a molecular weight of 321.42 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(3-carbamoylphenyl)methylamino]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 103740263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).