tert-butyl N-[4-[2-(dimethylamino)-1-[methyl(propan-2-yl)amino]-2-oxoethyl]phenyl]carbamate

C19H31N3O3 — CID 70792857

IUPACtert-butyl N-[4-[2-(dimethylamino)-1-[methyl(propan-2-yl)amino]-2-oxoethyl]phenyl]carbamate
SMILESCC(C)N(C)C(C(=O)N(C)C)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H31N3O3/c1-13(2)22(8)16(17(23)21(6)7)14-9-11-15(12-10-14)20-18(24)25-19(3,4)5/h9-13,16H,1-8H3,(H,20,24)
InChIKeyVWHRIISTTUZQGF-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.50
Rot. Bonds5

About tert-butyl N-[4-[2-(dimethylamino)-1-[methyl(propan-2-yl)amino]-2-oxoethyl]phenyl]carbamate

tert-butyl N-[4-[2-(dimethylamino)-1-[methyl(propan-2-yl)amino]-2-oxoethyl]phenyl]carbamate (PubChem CID 70792857) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(dimethylamino)-1-[methyl(propan-2-yl)amino]-2-oxoethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(dimethylamino)-1-[methyl(propan-2-yl)amino]-2-oxoethyl]phenyl]carbamate
PubChem CID70792857
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Nametert-butyl N-[4-[2-(dimethylamino)-1-[methyl(propan-2-yl)amino]-2-oxoethyl]phenyl]carbamate
SMILESCC(C)N(C)C(C(=O)N(C)C)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H31N3O3/c1-13(2)22(8)16(17(23)21(6)7)14-9-11-15(12-10-14)20-18(24)25-19(3,4)5/h9-13,16H,1-8H3,(H,20,24)
InChIKeyVWHRIISTTUZQGF-UHFFFAOYSA-N
XLogP3.50
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[4-[2-(dimethylamino)-1-[methyl(propan-2-yl)amino]-2-oxoethyl]phenyl]carbamate with MolForge

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Related Compounds

tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] N,N-dimethylcarbamate
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tert-butyl N-[4-[[4-(4-fluorophenyl)phenyl]-hydroxymethyl]phenyl]carbamate
CID 155206873
tert-butyl N-[4-[amino(methyl)carbamoyl]phenyl]carbamate
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tert-butyl N-(4-sulfanylphenyl)carbamate
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CID 113354871
tert-butyl N-[4-[carbonochloridoyl(methyl)amino]phenyl]carbamate
CID 14349632
tert-butyl N-[4-[1-[(3-methoxycyclobutyl)amino]ethyl]phenyl]carbamate
CID 107253415
3-methyl-2-[methyl-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethyl]amino]butanoic acid
CID 123377624
tert-butyl N-[4-(4-propan-2-yloxyanilino)phenyl]carbamate
CID 112987837
methyl 3-(diethylamino)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate
CID 101356132

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-(dimethylamino)-1-[methyl(propan-2-yl)amino]-2-oxoethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-(dimethylamino)-1-[methyl(propan-2-yl)amino]-2-oxoethyl]phenyl]carbamate (CID 70792857) is tert-butyl N-[4-[2-(dimethylamino)-1-[methyl(propan-2-yl)amino]-2-oxoethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(dimethylamino)-1-[methyl(propan-2-yl)amino]-2-oxoethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-(dimethylamino)-1-[methyl(propan-2-yl)amino]-2-oxoethyl]phenyl]carbamate is CC(C)N(C)C(C(=O)N(C)C)c1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[4-[2-(dimethylamino)-1-[methyl(propan-2-yl)amino]-2-oxoethyl]phenyl]carbamate?
The InChIKey is VWHRIISTTUZQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-13(2)22(8)16(17(23)21(6)7)14-9-11-15(12-10-14)20-18(24)25-19(3,4)5/h9-13,16H,1-8H3,(H,20,24).
What are the key properties of tert-butyl N-[4-[2-(dimethylamino)-1-[methyl(propan-2-yl)amino]-2-oxoethyl]phenyl]carbamate?
tert-butyl N-[4-[2-(dimethylamino)-1-[methyl(propan-2-yl)amino]-2-oxoethyl]phenyl]carbamate has a molecular weight of 349.48 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-(dimethylamino)-1-[methyl(propan-2-yl)amino]-2-oxoethyl]phenyl]carbamate is sourced from PubChem (CID 70792857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).