tert-butyl N-methyl-N-[[2-(4-methylpentanoylamino)phenyl]methyl]carbamate

C19H30N2O3 — CID 60595393

IUPACtert-butyl N-methyl-N-[[2-(4-methylpentanoylamino)phenyl]methyl]carbamate
SMILESCC(C)CCC(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O3/c1-14(2)11-12-17(22)20-16-10-8-7-9-15(16)13-21(6)18(23)24-19(3,4)5/h7-10,14H,11-13H2,1-6H3,(H,20,22)
InChIKeyKVPUOLSNBYFWCX-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.43
Rot. Bonds6

About tert-butyl N-methyl-N-[[2-(4-methylpentanoylamino)phenyl]methyl]carbamate

tert-butyl N-methyl-N-[[2-(4-methylpentanoylamino)phenyl]methyl]carbamate (PubChem CID 60595393) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[[2-(4-methylpentanoylamino)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[[2-(4-methylpentanoylamino)phenyl]methyl]carbamate
PubChem CID60595393
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Nametert-butyl N-methyl-N-[[2-(4-methylpentanoylamino)phenyl]methyl]carbamate
SMILESCC(C)CCC(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O3/c1-14(2)11-12-17(22)20-16-10-8-7-9-15(16)13-21(6)18(23)24-19(3,4)5/h7-10,14H,11-13H2,1-6H3,(H,20,22)
InChIKeyKVPUOLSNBYFWCX-UHFFFAOYSA-N
XLogP4.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[2-(2,4-dimethylpentylamino)phenyl]methyl]-N-methylcarbamate
CID 114200705
2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]anilino]propanoic acid
CID 107242371
tert-butyl N-[[2-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methyl]-N-methylcarbamate
CID 107242385
tert-butyl N-methyl-N-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]methyl]carbamate
CID 86853937
tert-butyl N-[[2-(3-methoxybutan-2-ylamino)phenyl]methyl]-N-methylcarbamate
CID 103936279
tert-butyl N-[[2-(2-ethylbutylamino)phenyl]methyl]-N-methylcarbamate
CID 107242386
tert-butyl N-methyl-N-[[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenyl]methyl]carbamate
CID 47082214
N-[2-[(dimethylamino)methyl]phenyl]-4-hydroxypentanamide
CID 79204978
tert-butyl N-[[2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]phenyl]methyl]-N-methylcarbamate
CID 86853941
5-amino-N-[2-[(dimethylamino)methyl]phenyl]hexanamide
CID 82848561
tert-butyl N-methyl-N-[[2-(1,3-thiazol-5-ylmethylamino)phenyl]methyl]carbamate
CID 103818744
tert-butyl N-methyl-N-[[2-(oxolan-3-ylamino)phenyl]methyl]carbamate
CID 103892825

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[[2-(4-methylpentanoylamino)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[[2-(4-methylpentanoylamino)phenyl]methyl]carbamate (CID 60595393) is tert-butyl N-methyl-N-[[2-(4-methylpentanoylamino)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[[2-(4-methylpentanoylamino)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[[2-(4-methylpentanoylamino)phenyl]methyl]carbamate is CC(C)CCC(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[[2-(4-methylpentanoylamino)phenyl]methyl]carbamate?
The InChIKey is KVPUOLSNBYFWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14(2)11-12-17(22)20-16-10-8-7-9-15(16)13-21(6)18(23)24-19(3,4)5/h7-10,14H,11-13H2,1-6H3,(H,20,22).
What are the key properties of tert-butyl N-methyl-N-[[2-(4-methylpentanoylamino)phenyl]methyl]carbamate?
tert-butyl N-methyl-N-[[2-(4-methylpentanoylamino)phenyl]methyl]carbamate has a molecular weight of 334.46 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[[2-(4-methylpentanoylamino)phenyl]methyl]carbamate is sourced from PubChem (CID 60595393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).