methyl 3-(1-methoxybutan-2-ylcarbamoyl)benzoate

C14H19NO4 — CID 23821566

IUPACmethyl 3-(1-methoxybutan-2-ylcarbamoyl)benzoate
SMILESCCC(COC)NC(=O)c1cccc(C(=O)OC)c1
InChIInChI=1S/C14H19NO4/c1-4-12(9-18-2)15-13(16)10-6-5-7-11(8-10)14(17)19-3/h5-8,12H,4,9H2,1-3H3,(H,15,16)
InChIKeyLYVWQEIPNDSBOV-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.63
Rot. Bonds6

About methyl 3-(1-methoxybutan-2-ylcarbamoyl)benzoate

methyl 3-(1-methoxybutan-2-ylcarbamoyl)benzoate (PubChem CID 23821566) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 3-(1-methoxybutan-2-ylcarbamoyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(1-methoxybutan-2-ylcarbamoyl)benzoate
PubChem CID23821566
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 3-(1-methoxybutan-2-ylcarbamoyl)benzoate
SMILESCCC(COC)NC(=O)c1cccc(C(=O)OC)c1
InChIInChI=1S/C14H19NO4/c1-4-12(9-18-2)15-13(16)10-6-5-7-11(8-10)14(17)19-3/h5-8,12H,4,9H2,1-3H3,(H,15,16)
InChIKeyLYVWQEIPNDSBOV-UHFFFAOYSA-N
XLogP1.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 40538172
methyl 3-(1-phenylpropylcarbamoyl)benzoate
CID 43911594
2-[3-[[(2R)-1-methoxybutan-2-yl]carbamoyl]phenyl]benzamide
CID 126426614
[2-formyl-4-(1-methoxybutan-2-ylcarbamoyl)phenyl]boronic acid
CID 166430542
4-methoxy-N-(1-methoxybutan-2-yl)-3-sulfamoylbenzamide
CID 64688964
3-[6-(dimethylamino)pyrazin-2-yl]-N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 125439403
N-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide
CID 93033627
N-(1-bromo-3-methoxypropan-2-yl)-3-methoxybenzamide
CID 106183814
CID 159558349
CID 159558349
CID 70265363
CID 70265363
methyl 3-(hydrazinecarbonyl)benzoate;hydrochloride
CID 122507435
4-amino-3,5-dichloro-N-(1-methoxybutan-2-yl)benzamide
CID 82832518

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-methoxybutan-2-ylcarbamoyl)benzoate?
The IUPAC name of methyl 3-(1-methoxybutan-2-ylcarbamoyl)benzoate (CID 23821566) is methyl 3-(1-methoxybutan-2-ylcarbamoyl)benzoate.
What is the SMILES notation for methyl 3-(1-methoxybutan-2-ylcarbamoyl)benzoate?
The canonical SMILES for methyl 3-(1-methoxybutan-2-ylcarbamoyl)benzoate is CCC(COC)NC(=O)c1cccc(C(=O)OC)c1.
What is the InChIKey of methyl 3-(1-methoxybutan-2-ylcarbamoyl)benzoate?
The InChIKey is LYVWQEIPNDSBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-12(9-18-2)15-13(16)10-6-5-7-11(8-10)14(17)19-3/h5-8,12H,4,9H2,1-3H3,(H,15,16).
What are the key properties of methyl 3-(1-methoxybutan-2-ylcarbamoyl)benzoate?
methyl 3-(1-methoxybutan-2-ylcarbamoyl)benzoate has a molecular weight of 265.31 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-methoxybutan-2-ylcarbamoyl)benzoate is sourced from PubChem (CID 23821566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).