[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate

C17H26N2O4 — CID 10860245

IUPAC[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate
SMILESCC(Cc1cccc(OC(=O)N(C)C)c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O4/c1-12(18-15(20)23-17(2,3)4)10-13-8-7-9-14(11-13)22-16(21)19(5)6/h7-9,11-12H,10H2,1-6H3,(H,18,20)
InChIKeyJGCWNSQXAHPURS-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.20
Rot. Bonds4

About [3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate

[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate (PubChem CID 10860245) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is [3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate
PubChem CID10860245
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate
SMILESCC(Cc1cccc(OC(=O)N(C)C)c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O4/c1-12(18-15(20)23-17(2,3)4)10-13-8-7-9-14(11-13)22-16(21)19(5)6/h7-9,11-12H,10H2,1-6H3,(H,18,20)
InChIKeyJGCWNSQXAHPURS-UHFFFAOYSA-N
XLogP3.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[3-(4-fluorophenoxy)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate
CID 90820092
tert-butyl N-[(2R)-1-[(3-methoxyphenyl)methoxy]propan-2-yl]carbamate
CID 71077122
4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(3-propan-2-yloxyphenyl)pentanoic acid
CID 113236070
benzyl N-[(2S)-1-[3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]propan-2-yl]carbamate
CID 58748895
tert-butyl N-[1-amino-3-(3-methoxyphenyl)propan-2-yl]carbamate
CID 84730445
[4-[(1S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate
CID 90918476
3-(3-butan-2-yloxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 54846455
tert-butyl N-[1-(3-amino-4-fluorophenyl)propan-2-yl]carbamate
CID 84712221
2-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]acetic acid
CID 129405884
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(1-phenylpropan-2-ylamino)propan-2-yl]carbamate
CID 148813145
[2-[3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]-1-phenylmethoxyethylidene]oxidanium
CID 163481763
[3-[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]phenyl] N-cyclohexyl-N-methylcarbamate
CID 11825637

Frequently Asked Questions

What is the IUPAC name of [3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate?
The IUPAC name of [3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate (CID 10860245) is [3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate is CC(Cc1cccc(OC(=O)N(C)C)c1)NC(=O)OC(C)(C)C.
What is the InChIKey of [3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate?
The InChIKey is JGCWNSQXAHPURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-12(18-15(20)23-17(2,3)4)10-13-8-7-9-14(11-13)22-16(21)19(5)6/h7-9,11-12H,10H2,1-6H3,(H,18,20).
What are the key properties of [3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate?
[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate has a molecular weight of 322.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 10860245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).