methyl 4-(N-methylanilino)-2-(propan-2-ylamino)butanoate

C15H24N2O2 — CID 63029737

IUPACmethyl 4-(N-methylanilino)-2-(propan-2-ylamino)butanoate
SMILESCOC(=O)C(CCN(C)c1ccccc1)NC(C)C
InChIInChI=1S/C15H24N2O2/c1-12(2)16-14(15(18)19-4)10-11-17(3)13-8-6-5-7-9-13/h5-9,12,14,16H,10-11H2,1-4H3
InChIKeyYULWMUMWDJIHSY-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.05
Rot. Bonds7

About methyl 4-(N-methylanilino)-2-(propan-2-ylamino)butanoate

methyl 4-(N-methylanilino)-2-(propan-2-ylamino)butanoate (PubChem CID 63029737) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is methyl 4-(N-methylanilino)-2-(propan-2-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(N-methylanilino)-2-(propan-2-ylamino)butanoate
PubChem CID63029737
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Namemethyl 4-(N-methylanilino)-2-(propan-2-ylamino)butanoate
SMILESCOC(=O)C(CCN(C)c1ccccc1)NC(C)C
InChIInChI=1S/C15H24N2O2/c1-12(2)16-14(15(18)19-4)10-11-17(3)13-8-6-5-7-9-13/h5-9,12,14,16H,10-11H2,1-4H3
InChIKeyYULWMUMWDJIHSY-UHFFFAOYSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(methylamino)-4-(N-methylanilino)butanoate
CID 63029346
methyl 4-(N,3-dimethylanilino)-2-(propan-2-ylamino)butanoate
CID 63053650
4-(3-methoxy-N-methylanilino)-2-(propan-2-ylamino)butanamide
CID 63054512
methyl 4-(3-methoxy-N-methylanilino)-2-(methylamino)butanoate
CID 63055038
4-(4-methoxy-N-methylanilino)-2-methylbutanoic acid
CID 115220604
4-[methyl-[3-[[methyl(phenyl)carbamoyl]amino]butyl]amino]-N-propan-2-ylbenzamide
CID 170187253
methyl 2-amino-4-(N,3-dimethylanilino)butanoate
CID 63053473
methyl 4-hydroxy-2-(propan-2-ylamino)butanoate
CID 105436141
methyl 2-(propan-2-ylamino)-4-[propan-2-yl(propyl)amino]butanoate
CID 63028441
2-amino-4-methoxy-N-[3-(N-methylanilino)propyl]butanamide
CID 62475149
3-amino-N-[2-(N-methylanilino)ethyl]butanamide
CID 61258847
methyl 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoate
CID 63053805

Frequently Asked Questions

What is the IUPAC name of methyl 4-(N-methylanilino)-2-(propan-2-ylamino)butanoate?
The IUPAC name of methyl 4-(N-methylanilino)-2-(propan-2-ylamino)butanoate (CID 63029737) is methyl 4-(N-methylanilino)-2-(propan-2-ylamino)butanoate.
What is the SMILES notation for methyl 4-(N-methylanilino)-2-(propan-2-ylamino)butanoate?
The canonical SMILES for methyl 4-(N-methylanilino)-2-(propan-2-ylamino)butanoate is COC(=O)C(CCN(C)c1ccccc1)NC(C)C.
What is the InChIKey of methyl 4-(N-methylanilino)-2-(propan-2-ylamino)butanoate?
The InChIKey is YULWMUMWDJIHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(2)16-14(15(18)19-4)10-11-17(3)13-8-6-5-7-9-13/h5-9,12,14,16H,10-11H2,1-4H3.
What are the key properties of methyl 4-(N-methylanilino)-2-(propan-2-ylamino)butanoate?
methyl 4-(N-methylanilino)-2-(propan-2-ylamino)butanoate has a molecular weight of 264.37 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(N-methylanilino)-2-(propan-2-ylamino)butanoate is sourced from PubChem (CID 63029737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).