4-(acetamidomethyl)benzoate

C10H10NO3- — CID 4573914

IUPAC4-(acetamidomethyl)benzoate
SMILESCC(=O)NCc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C10H11NO3/c1-7(12)11-6-8-2-4-9(5-3-8)10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)/p-1
InChIKeyDSEUUJNFENYHDY-UHFFFAOYSA-M
MW192.19 g/mol
LogP-0.31
Rot. Bonds3

About 4-(acetamidomethyl)benzoate

4-(acetamidomethyl)benzoate (PubChem CID 4573914) has the molecular formula C10H10NO3- and a molecular weight of 192.19 g/mol. Its IUPAC name is 4-(acetamidomethyl)benzoate.

Molecular Properties

Compound Name4-(acetamidomethyl)benzoate
PubChem CID4573914
Molecular FormulaC10H10NO3-
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name4-(acetamidomethyl)benzoate
SMILESCC(=O)NCc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C10H11NO3/c1-7(12)11-6-8-2-4-9(5-3-8)10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)/p-1
InChIKeyDSEUUJNFENYHDY-UHFFFAOYSA-M
XLogP-0.31
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(acetamidomethyl)benzoyl chloride
CID 13131539
4-(acetamidomethyl)-N-ethylbenzamide
CID 20648409
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
N-[(4-iodophenyl)methyl]acetamide
CID 23111624
N-[(4-carbamimidoylphenyl)methyl]acetamide
CID 16744801
sodium 4-[(decanoylamino)methyl]benzoate
CID 23676819
4-[[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]methyl]benzoate
CID 7335953
N-[[4-(diaminomethylideneamino)phenyl]methyl]acetamide
CID 59081490
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
N-[[4-[(1-hydroxyethylamino)methyl]phenyl]methyl]acetamide
CID 170399576
[4-(acetamidomethyl)phenyl] acetate
CID 15576450

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)benzoate?
The IUPAC name of 4-(acetamidomethyl)benzoate (CID 4573914) is 4-(acetamidomethyl)benzoate.
What is the SMILES notation for 4-(acetamidomethyl)benzoate?
The canonical SMILES for 4-(acetamidomethyl)benzoate is CC(=O)NCc1ccc(C(=O)[O-])cc1.
What is the InChIKey of 4-(acetamidomethyl)benzoate?
The InChIKey is DSEUUJNFENYHDY-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11NO3/c1-7(12)11-6-8-2-4-9(5-3-8)10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)/p-1.
What are the key properties of 4-(acetamidomethyl)benzoate?
4-(acetamidomethyl)benzoate has a molecular weight of 192.19 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)benzoate is sourced from PubChem (CID 4573914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).