tert-butyl N-[[2-(2,4-dimethylpentylamino)phenyl]methyl]-N-methylcarbamate

C20H34N2O2 — CID 114200705

IUPACtert-butyl N-[[2-(2,4-dimethylpentylamino)phenyl]methyl]-N-methylcarbamate
SMILESCC(C)CC(C)CNc1ccccc1CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C20H34N2O2/c1-15(2)12-16(3)13-21-18-11-9-8-10-17(18)14-22(7)19(23)24-20(4,5)6/h8-11,15-16,21H,12-14H2,1-7H3
InChIKeyUDSQOUBAPKKVNI-UHFFFAOYSA-N
MW334.50 g/mol
LogP5.15
Rot. Bonds7

About tert-butyl N-[[2-(2,4-dimethylpentylamino)phenyl]methyl]-N-methylcarbamate

tert-butyl N-[[2-(2,4-dimethylpentylamino)phenyl]methyl]-N-methylcarbamate (PubChem CID 114200705) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is tert-butyl N-[[2-(2,4-dimethylpentylamino)phenyl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(2,4-dimethylpentylamino)phenyl]methyl]-N-methylcarbamate
PubChem CID114200705
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Nametert-butyl N-[[2-(2,4-dimethylpentylamino)phenyl]methyl]-N-methylcarbamate
SMILESCC(C)CC(C)CNc1ccccc1CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C20H34N2O2/c1-15(2)12-16(3)13-21-18-11-9-8-10-17(18)14-22(7)19(23)24-20(4,5)6/h8-11,15-16,21H,12-14H2,1-7H3
InChIKeyUDSQOUBAPKKVNI-UHFFFAOYSA-N
XLogP5.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.50
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[[2-(3-methoxybutan-2-ylamino)phenyl]methyl]-N-methylcarbamate
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2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]anilino]propanoic acid
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tert-butyl N-[[2-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methyl]-N-methylcarbamate
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N-[[2-[(3-methoxy-2-methylpropyl)amino]phenyl]methyl]-N-methylacetamide
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tert-butyl N-methyl-N-[[2-(1,3-thiazol-5-ylmethylamino)phenyl]methyl]carbamate
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tert-butyl N-methyl-N-[[2-(oxolan-3-ylamino)phenyl]methyl]carbamate
CID 103892825
tert-butyl N-methyl-N-[[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenyl]methyl]carbamate
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tert-butyl N-[[2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]phenyl]methyl]-N-methylcarbamate
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tert-butyl N-[(3-amino-2-hydroxyphenyl)methyl]-N-methylcarbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(2,4-dimethylpentylamino)phenyl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[2-(2,4-dimethylpentylamino)phenyl]methyl]-N-methylcarbamate (CID 114200705) is tert-butyl N-[[2-(2,4-dimethylpentylamino)phenyl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[2-(2,4-dimethylpentylamino)phenyl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[2-(2,4-dimethylpentylamino)phenyl]methyl]-N-methylcarbamate is CC(C)CC(C)CNc1ccccc1CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-(2,4-dimethylpentylamino)phenyl]methyl]-N-methylcarbamate?
The InChIKey is UDSQOUBAPKKVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-15(2)12-16(3)13-21-18-11-9-8-10-17(18)14-22(7)19(23)24-20(4,5)6/h8-11,15-16,21H,12-14H2,1-7H3.
What are the key properties of tert-butyl N-[[2-(2,4-dimethylpentylamino)phenyl]methyl]-N-methylcarbamate?
tert-butyl N-[[2-(2,4-dimethylpentylamino)phenyl]methyl]-N-methylcarbamate has a molecular weight of 334.50 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(2,4-dimethylpentylamino)phenyl]methyl]-N-methylcarbamate is sourced from PubChem (CID 114200705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).