methyl 4-[[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]methyl]benzoate

C16H24N2O3 — CID 43750662

IUPACmethyl 4-[[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]methyl]benzoate
SMILESCNC(=O)C(CC(C)C)NCc1ccc(C(=O)OC)cc1
InChIInChI=1S/C16H24N2O3/c1-11(2)9-14(15(19)17-3)18-10-12-5-7-13(8-6-12)16(20)21-4/h5-8,11,14,18H,9-10H2,1-4H3,(H,17,19)
InChIKeySOMAFXBVLZCJBN-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.72
Rot. Bonds7

About methyl 4-[[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]methyl]benzoate

methyl 4-[[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]methyl]benzoate (PubChem CID 43750662) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 4-[[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]methyl]benzoate
PubChem CID43750662
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 4-[[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]methyl]benzoate
SMILESCNC(=O)C(CC(C)C)NCc1ccc(C(=O)OC)cc1
InChIInChI=1S/C16H24N2O3/c1-11(2)9-14(15(19)17-3)18-10-12-5-7-13(8-6-12)16(20)21-4/h5-8,11,14,18H,9-10H2,1-4H3,(H,17,19)
InChIKeySOMAFXBVLZCJBN-UHFFFAOYSA-N
XLogP1.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]methyl]benzoate with MolForge

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Related Compounds

2-[(3,4-dihydroxyphenyl)methylamino]-N,4-dimethylpentanamide
CID 43750577
2-[[4-(cyanomethoxy)phenyl]methylamino]-N,4-dimethylpentanamide
CID 43792120
2-[(3-fluoro-4-methylphenyl)methylamino]-N,4-dimethylpentanamide
CID 55245761
N,4-dimethyl-2-(pyridin-3-ylmethylamino)pentanamide
CID 43750569
methyl 2-[(4-chlorophenyl)methylamino]-4-methylpentanoate
CID 43230599
methyl 4-[[1-(4-ethylphenyl)ethylamino]methyl]benzoate
CID 119137995
methyl 4-[(4-methylsulfinylbutan-2-ylamino)methyl]benzoate
CID 115908205
methyl 2-[(4-tert-butylphenyl)methylamino]-4-methylpentanoate
CID 43231003
4-[[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]amino]methyl]benzoic acid
CID 65348249
methyl 4-[(pent-4-en-2-ylamino)methyl]benzoate
CID 115907298
2-[(2,5-dimethoxyphenyl)methylamino]-N,4-dimethylpentanamide
CID 43750741
methyl 4-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]benzoate
CID 81356687

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]methyl]benzoate (CID 43750662) is methyl 4-[[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]methyl]benzoate is CNC(=O)C(CC(C)C)NCc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]methyl]benzoate?
The InChIKey is SOMAFXBVLZCJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)9-14(15(19)17-3)18-10-12-5-7-13(8-6-12)16(20)21-4/h5-8,11,14,18H,9-10H2,1-4H3,(H,17,19).
What are the key properties of methyl 4-[[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]methyl]benzoate?
methyl 4-[[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]methyl]benzoate has a molecular weight of 292.38 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]methyl]benzoate is sourced from PubChem (CID 43750662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).