2-[[4-(3-methylbutoxy)benzoyl]amino]acetate

C14H18NO4- — CID 6944071

IUPAC2-[[4-(3-methylbutoxy)benzoyl]amino]acetate
SMILESCC(C)CCOc1ccc(C(=O)NCC(=O)[O-])cc1
InChIInChI=1S/C14H19NO4/c1-10(2)7-8-19-12-5-3-11(4-6-12)14(18)15-9-13(16)17/h3-6,10H,7-9H2,1-2H3,(H,15,18)(H,16,17)/p-1
InChIKeyWOLNIDACGLPVHC-UHFFFAOYSA-M
MW264.30 g/mol
LogP0.59
Rot. Bonds7

About 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate

2-[[4-(3-methylbutoxy)benzoyl]amino]acetate (PubChem CID 6944071) has the molecular formula C14H18NO4- and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate.

Molecular Properties

Compound Name2-[[4-(3-methylbutoxy)benzoyl]amino]acetate
PubChem CID6944071
Molecular FormulaC14H18NO4-
Molecular Weight264.30 g/mol
Exact Mass264.12
IUPAC Name2-[[4-(3-methylbutoxy)benzoyl]amino]acetate
SMILESCC(C)CCOc1ccc(C(=O)NCC(=O)[O-])cc1
InChIInChI=1S/C14H19NO4/c1-10(2)7-8-19-12-5-3-11(4-6-12)14(18)15-9-13(16)17/h3-6,10H,7-9H2,1-2H3,(H,15,18)(H,16,17)/p-1
InChIKeyWOLNIDACGLPVHC-UHFFFAOYSA-M
XLogP0.59
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate
CID 4948251
N-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide
CID 78796548
N-[2-(ethylamino)ethyl]-4-(3-methylbutoxy)benzamide
CID 119507309
N-(3-amino-2-methylpropyl)-4-(3-methylbutoxy)benzamide;hydrochloride
CID 119996953
2-[(4-methoxybenzoyl)amino]acetate
CID 6920131
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465
4-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911086
2-[4-(3-methylbutoxy)phenyl]acetate
CID 6947053
N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177576
N-butan-2-yl-4-(3-methylbutoxy)benzamide
CID 17137403
N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 4927856
N-cyclopentyl-4-(3-methylbutoxy)benzamide
CID 4948351

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate?
The IUPAC name of 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate (CID 6944071) is 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate.
What is the SMILES notation for 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate?
The canonical SMILES for 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate is CC(C)CCOc1ccc(C(=O)NCC(=O)[O-])cc1.
What is the InChIKey of 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate?
The InChIKey is WOLNIDACGLPVHC-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H19NO4/c1-10(2)7-8-19-12-5-3-11(4-6-12)14(18)15-9-13(16)17/h3-6,10H,7-9H2,1-2H3,(H,15,18)(H,16,17)/p-1.
What are the key properties of 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate?
2-[[4-(3-methylbutoxy)benzoyl]amino]acetate has a molecular weight of 264.30 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate is sourced from PubChem (CID 6944071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).