N-[3-(2-methylpropoxy)phenyl]-2-(prop-2-enylamino)acetamide

C15H22N2O2 — CID 54818464

IUPACN-[3-(2-methylpropoxy)phenyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1cccc(OCC(C)C)c1
InChIInChI=1S/C15H22N2O2/c1-4-8-16-10-15(18)17-13-6-5-7-14(9-13)19-11-12(2)3/h4-7,9,12,16H,1,8,10-11H2,2-3H3,(H,17,18)
InChIKeyIFAPAAOSCFMNKU-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.44
Rot. Bonds8

About N-[3-(2-methylpropoxy)phenyl]-2-(prop-2-enylamino)acetamide

N-[3-(2-methylpropoxy)phenyl]-2-(prop-2-enylamino)acetamide (PubChem CID 54818464) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)phenyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)phenyl]-2-(prop-2-enylamino)acetamide
PubChem CID54818464
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[3-(2-methylpropoxy)phenyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1cccc(OCC(C)C)c1
InChIInChI=1S/C15H22N2O2/c1-4-8-16-10-15(18)17-13-6-5-7-14(9-13)19-11-12(2)3/h4-7,9,12,16H,1,8,10-11H2,2-3H3,(H,17,18)
InChIKeyIFAPAAOSCFMNKU-UHFFFAOYSA-N
XLogP2.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(2-methylpropoxy)phenyl]-2-(prop-2-enylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958455
2-[3-(2-methylpropoxy)anilino]-N-prop-2-enylacetamide
CID 54823925
N-[3-(cyanomethoxy)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285957
2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289
3-[3-(2-methylpropoxy)anilino]-3-oxopropanoic acid
CID 62230040
2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54826384
2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54831499
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830634
ethyl 3-[3-(2-methylpropoxy)anilino]-3-oxopropanoate
CID 17097553
2-(furan-2-ylmethylamino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54818949

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)phenyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[3-(2-methylpropoxy)phenyl]-2-(prop-2-enylamino)acetamide (CID 54818464) is N-[3-(2-methylpropoxy)phenyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[3-(2-methylpropoxy)phenyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[3-(2-methylpropoxy)phenyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)Nc1cccc(OCC(C)C)c1.
What is the InChIKey of N-[3-(2-methylpropoxy)phenyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is IFAPAAOSCFMNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-8-16-10-15(18)17-13-6-5-7-14(9-13)19-11-12(2)3/h4-7,9,12,16H,1,8,10-11H2,2-3H3,(H,17,18).
What are the key properties of N-[3-(2-methylpropoxy)phenyl]-2-(prop-2-enylamino)acetamide?
N-[3-(2-methylpropoxy)phenyl]-2-(prop-2-enylamino)acetamide has a molecular weight of 262.35 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)phenyl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 54818464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).