tert-butyl N-[1-[3-(cyclopropylcarbamoyl)anilino]-2-methylpropan-2-yl]-N-methylcarbamate

C20H31N3O3 — CID 100624218

IUPACtert-butyl N-[1-[3-(cyclopropylcarbamoyl)anilino]-2-methylpropan-2-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C(C)(C)CNc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C20H31N3O3/c1-19(2,3)26-18(25)23(6)20(4,5)13-21-16-9-7-8-14(12-16)17(24)22-15-10-11-15/h7-9,12,15,21H,10-11,13H2,1-6H3,(H,22,24)
InChIKeyVWDIYYIGMVOAPA-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.64
Rot. Bonds6

About tert-butyl N-[1-[3-(cyclopropylcarbamoyl)anilino]-2-methylpropan-2-yl]-N-methylcarbamate

tert-butyl N-[1-[3-(cyclopropylcarbamoyl)anilino]-2-methylpropan-2-yl]-N-methylcarbamate (PubChem CID 100624218) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is tert-butyl N-[1-[3-(cyclopropylcarbamoyl)anilino]-2-methylpropan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-(cyclopropylcarbamoyl)anilino]-2-methylpropan-2-yl]-N-methylcarbamate
PubChem CID100624218
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Nametert-butyl N-[1-[3-(cyclopropylcarbamoyl)anilino]-2-methylpropan-2-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C(C)(C)CNc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C20H31N3O3/c1-19(2,3)26-18(25)23(6)20(4,5)13-21-16-9-7-8-14(12-16)17(24)22-15-10-11-15/h7-9,12,15,21H,10-11,13H2,1-6H3,(H,22,24)
InChIKeyVWDIYYIGMVOAPA-UHFFFAOYSA-N
XLogP3.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-[3-(cyclopropylcarbamoyl)anilino]-2-methylpropan-2-yl]-N-methylcarbamate with MolForge

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Related Compounds

N-cyclopropyl-3-[(3-methylphenyl)methylamino]benzamide
CID 28658973
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 53255865
3-[(2-aminophenyl)methylamino]-N-cyclopropylbenzamide
CID 66386042
3-(2,2-dimethylpropanoylamino)-N-(4-methylcyclohexyl)benzamide
CID 134057675
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 17415806
3-tert-butyl-N-cyclopropylbenzamide
CID 59732225
3-(1-aminopropan-2-ylamino)-N-cyclopropylbenzamide
CID 103387471
N-cyclohexyl-3-(methoxyamino)benzamide
CID 142229646
methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate
CID 109050811
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide
CID 78969031

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-(cyclopropylcarbamoyl)anilino]-2-methylpropan-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-[3-(cyclopropylcarbamoyl)anilino]-2-methylpropan-2-yl]-N-methylcarbamate (CID 100624218) is tert-butyl N-[1-[3-(cyclopropylcarbamoyl)anilino]-2-methylpropan-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-[3-(cyclopropylcarbamoyl)anilino]-2-methylpropan-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-[3-(cyclopropylcarbamoyl)anilino]-2-methylpropan-2-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C(C)(C)CNc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of tert-butyl N-[1-[3-(cyclopropylcarbamoyl)anilino]-2-methylpropan-2-yl]-N-methylcarbamate?
The InChIKey is VWDIYYIGMVOAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-19(2,3)26-18(25)23(6)20(4,5)13-21-16-9-7-8-14(12-16)17(24)22-15-10-11-15/h7-9,12,15,21H,10-11,13H2,1-6H3,(H,22,24).
What are the key properties of tert-butyl N-[1-[3-(cyclopropylcarbamoyl)anilino]-2-methylpropan-2-yl]-N-methylcarbamate?
tert-butyl N-[1-[3-(cyclopropylcarbamoyl)anilino]-2-methylpropan-2-yl]-N-methylcarbamate has a molecular weight of 361.49 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-(cyclopropylcarbamoyl)anilino]-2-methylpropan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 100624218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).