N-[5-[(tert-butylcarbamoylamino)methyl]-2-methoxyphenyl]acetamide

C15H23N3O3 — CID 110775274

IUPACN-[5-[(tert-butylcarbamoylamino)methyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(CNC(=O)NC(C)(C)C)cc1NC(C)=O
InChIInChI=1S/C15H23N3O3/c1-10(19)17-12-8-11(6-7-13(12)21-5)9-16-14(20)18-15(2,3)4/h6-8H,9H2,1-5H3,(H,17,19)(H2,16,18,20)
InChIKeyBQRPFLYKOSCVFY-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.25
Rot. Bonds4

About N-[5-[(tert-butylcarbamoylamino)methyl]-2-methoxyphenyl]acetamide

N-[5-[(tert-butylcarbamoylamino)methyl]-2-methoxyphenyl]acetamide (PubChem CID 110775274) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[5-[(tert-butylcarbamoylamino)methyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(tert-butylcarbamoylamino)methyl]-2-methoxyphenyl]acetamide
PubChem CID110775274
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[5-[(tert-butylcarbamoylamino)methyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(CNC(=O)NC(C)(C)C)cc1NC(C)=O
InChIInChI=1S/C15H23N3O3/c1-10(19)17-12-8-11(6-7-13(12)21-5)9-16-14(20)18-15(2,3)4/h6-8H,9H2,1-5H3,(H,17,19)(H2,16,18,20)
InChIKeyBQRPFLYKOSCVFY-UHFFFAOYSA-N
XLogP2.25
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-acetamido-4-methoxyphenyl)methyl]propanamide
CID 110783895
N-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide
CID 13465084
N-[5-[[[amino-(tert-butylamino)methylidene]amino]methyl]-2-methoxyphenyl]acetamide
CID 111094528
N-[(3-acetamido-4-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide
CID 110783955
N-[2-methoxy-5-[[[N'-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]methyl]phenyl]acetamide
CID 111420649
N-[5-[[[N-[(4-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide
CID 111231056
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
N-tert-butyl-2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]propanamide
CID 47075828
N-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110794394
N-tert-butyl-N'-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108965097
1-[(3,4-dimethoxyphenyl)methyl]-3-[(2R)-1-hydroxy-2-methylbutan-2-yl]urea
CID 95772333
3-acetamido-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 110764229

Frequently Asked Questions

What is the IUPAC name of N-[5-[(tert-butylcarbamoylamino)methyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[(tert-butylcarbamoylamino)methyl]-2-methoxyphenyl]acetamide (CID 110775274) is N-[5-[(tert-butylcarbamoylamino)methyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[(tert-butylcarbamoylamino)methyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[(tert-butylcarbamoylamino)methyl]-2-methoxyphenyl]acetamide is COc1ccc(CNC(=O)NC(C)(C)C)cc1NC(C)=O.
What is the InChIKey of N-[5-[(tert-butylcarbamoylamino)methyl]-2-methoxyphenyl]acetamide?
The InChIKey is BQRPFLYKOSCVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(19)17-12-8-11(6-7-13(12)21-5)9-16-14(20)18-15(2,3)4/h6-8H,9H2,1-5H3,(H,17,19)(H2,16,18,20).
What are the key properties of N-[5-[(tert-butylcarbamoylamino)methyl]-2-methoxyphenyl]acetamide?
N-[5-[(tert-butylcarbamoylamino)methyl]-2-methoxyphenyl]acetamide has a molecular weight of 293.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(tert-butylcarbamoylamino)methyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 110775274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).