[2-(butylcarbamoylamino)phenyl]methyl acetate

C14H20N2O3 — CID 174857263

IUPAC[2-(butylcarbamoylamino)phenyl]methyl acetate
SMILESCCCCNC(=O)Nc1ccccc1COC(C)=O
InChIInChI=1S/C14H20N2O3/c1-3-4-9-15-14(18)16-13-8-6-5-7-12(13)10-19-11(2)17/h5-8H,3-4,9-10H2,1-2H3,(H2,15,16,18)
InChIKeyXFJFQZCFLKLKMS-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.67
Rot. Bonds6

About [2-(butylcarbamoylamino)phenyl]methyl acetate

[2-(butylcarbamoylamino)phenyl]methyl acetate (PubChem CID 174857263) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [2-(butylcarbamoylamino)phenyl]methyl acetate.

Molecular Properties

Compound Name[2-(butylcarbamoylamino)phenyl]methyl acetate
PubChem CID174857263
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[2-(butylcarbamoylamino)phenyl]methyl acetate
SMILESCCCCNC(=O)Nc1ccccc1COC(C)=O
InChIInChI=1S/C14H20N2O3/c1-3-4-9-15-14(18)16-13-8-6-5-7-12(13)10-19-11(2)17/h5-8H,3-4,9-10H2,1-2H3,(H2,15,16,18)
InChIKeyXFJFQZCFLKLKMS-UHFFFAOYSA-N
XLogP2.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(ethoxymethyl)phenyl]-3-hexylurea
CID 60562677
1-butyl-3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea
CID 43210707
1-[2-(phenoxymethyl)phenyl]-3-propylurea
CID 60545912
1-(2-aminophenyl)-3-nonylurea
CID 177454724
1-butyl-3-(2-phenoxyphenyl)urea
CID 604054
2-(dodecylcarbamoylamino)benzoic acid
CID 150660429
2-[2-(hexylcarbamoylamino)phenyl]-N,N-dimethylacetamide
CID 60577078
1-[2-(ethoxymethyl)phenyl]-3-(5-methoxypentyl)urea
CID 86871424
butyl 2-(3-propoxypropylcarbamoylamino)benzoate
CID 3677749
(2-propylphenyl)methyl acetate
CID 18363688
1-butyl-3-(3-chloro-2-hydroxyphenyl)urea
CID 174595887
1-butyl-3-(2-methyl-3-pyridinyl)urea
CID 115667861

Frequently Asked Questions

What is the IUPAC name of [2-(butylcarbamoylamino)phenyl]methyl acetate?
The IUPAC name of [2-(butylcarbamoylamino)phenyl]methyl acetate (CID 174857263) is [2-(butylcarbamoylamino)phenyl]methyl acetate.
What is the SMILES notation for [2-(butylcarbamoylamino)phenyl]methyl acetate?
The canonical SMILES for [2-(butylcarbamoylamino)phenyl]methyl acetate is CCCCNC(=O)Nc1ccccc1COC(C)=O.
What is the InChIKey of [2-(butylcarbamoylamino)phenyl]methyl acetate?
The InChIKey is XFJFQZCFLKLKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-4-9-15-14(18)16-13-8-6-5-7-12(13)10-19-11(2)17/h5-8H,3-4,9-10H2,1-2H3,(H2,15,16,18).
What are the key properties of [2-(butylcarbamoylamino)phenyl]methyl acetate?
[2-(butylcarbamoylamino)phenyl]methyl acetate has a molecular weight of 264.32 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butylcarbamoylamino)phenyl]methyl acetate is sourced from PubChem (CID 174857263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).