methyl 2-[methyl-(4-propoxybenzoyl)amino]acetate

C14H19NO4 — CID 43407552

IUPACmethyl 2-[methyl-(4-propoxybenzoyl)amino]acetate
SMILESCCCOc1ccc(C(=O)N(C)CC(=O)OC)cc1
InChIInChI=1S/C14H19NO4/c1-4-9-19-12-7-5-11(6-8-12)14(17)15(2)10-13(16)18-3/h5-8H,4,9-10H2,1-3H3
InChIKeyAKFPRLSMTNUKLZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.72
Rot. Bonds6

About methyl 2-[methyl-(4-propoxybenzoyl)amino]acetate

methyl 2-[methyl-(4-propoxybenzoyl)amino]acetate (PubChem CID 43407552) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-[methyl-(4-propoxybenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-(4-propoxybenzoyl)amino]acetate
PubChem CID43407552
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-[methyl-(4-propoxybenzoyl)amino]acetate
SMILESCCCOc1ccc(C(=O)N(C)CC(=O)OC)cc1
InChIInChI=1S/C14H19NO4/c1-4-9-19-12-7-5-11(6-8-12)14(17)15(2)10-13(16)18-3/h5-8H,4,9-10H2,1-3H3
InChIKeyAKFPRLSMTNUKLZ-UHFFFAOYSA-N
XLogP1.72
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(4-propoxybenzoyl)amino]acetic acid
CID 43239761
methyl 2-[(4-iodobenzoyl)-methylamino]acetate
CID 43407349
ethyl 2-[[4-(2-ethoxyethoxy)benzoyl]-methylamino]acetate
CID 54785152
N-(2-cyanoethyl)-N-methyl-4-propoxybenzamide
CID 8778883
dodecyl 2-[(4-methoxybenzoyl)-methylamino]acetate
CID 91715321
methyl 2-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]acetate
CID 43409765
methyl 3-(4-propoxyphenyl)propanoate
CID 22949961
butyl 2-[methyl-(4-methylbenzoyl)amino]acetate
CID 91710677
N-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide
CID 112548221
N-methyl-N-[2-oxo-2-[[(1R,2S)-2-(4-propoxyphenoxy)cyclohexyl]amino]ethyl]benzamide
CID 95770732
methyl 2-[methyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 43409840
N-(2-aminopropyl)-4-butoxy-N-methylbenzamide
CID 63753762

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(4-propoxybenzoyl)amino]acetate?
The IUPAC name of methyl 2-[methyl-(4-propoxybenzoyl)amino]acetate (CID 43407552) is methyl 2-[methyl-(4-propoxybenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl-(4-propoxybenzoyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl-(4-propoxybenzoyl)amino]acetate is CCCOc1ccc(C(=O)N(C)CC(=O)OC)cc1.
What is the InChIKey of methyl 2-[methyl-(4-propoxybenzoyl)amino]acetate?
The InChIKey is AKFPRLSMTNUKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-9-19-12-7-5-11(6-8-12)14(17)15(2)10-13(16)18-3/h5-8H,4,9-10H2,1-3H3.
What are the key properties of methyl 2-[methyl-(4-propoxybenzoyl)amino]acetate?
methyl 2-[methyl-(4-propoxybenzoyl)amino]acetate has a molecular weight of 265.31 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(4-propoxybenzoyl)amino]acetate is sourced from PubChem (CID 43407552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).