N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-propoxyacetamide

C15H21NO3 — CID 103801005

IUPACN-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)N(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C15H21NO3/c1-2-8-19-11-15(18)16(13-6-7-13)10-12-4-3-5-14(17)9-12/h3-5,9,13,17H,2,6-8,10-11H2,1H3
InChIKeyFBFJQVUJNDHIRP-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.31
Rot. Bonds7

About N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-propoxyacetamide

N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-propoxyacetamide (PubChem CID 103801005) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-propoxyacetamide
PubChem CID103801005
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)N(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C15H21NO3/c1-2-8-19-11-15(18)16(13-6-7-13)10-12-4-3-5-14(17)9-12/h3-5,9,13,17H,2,6-8,10-11H2,1H3
InChIKeyFBFJQVUJNDHIRP-UHFFFAOYSA-N
XLogP2.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-propoxyacetamide 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

2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 60964232
3-[[cyclopropyl(2-ethoxyethyl)amino]methyl]phenol
CID 56795293
N-benzyl-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide
CID 71935827
2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide
CID 114328289
(2S)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pentanamide
CID 93375654
2-(2-aminoethoxy)-N-benzyl-N-cyclopropylacetamide
CID 79473802
6-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]hexanamide
CID 60964131
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]benzamide
CID 64592060
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide
CID 79388375
(4S)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide
CID 126434964
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide
CID 114997619
(2R)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-3,3-dimethylbutanamide
CID 103929366

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-propoxyacetamide?
The IUPAC name of N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-propoxyacetamide (CID 103801005) is N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-propoxyacetamide.
What is the SMILES notation for N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-propoxyacetamide?
The canonical SMILES for N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-propoxyacetamide is CCCOCC(=O)N(Cc1cccc(O)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-propoxyacetamide?
The InChIKey is FBFJQVUJNDHIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-8-19-11-15(18)16(13-6-7-13)10-12-4-3-5-14(17)9-12/h3-5,9,13,17H,2,6-8,10-11H2,1H3.
What are the key properties of N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-propoxyacetamide?
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-propoxyacetamide has a molecular weight of 263.34 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-propoxyacetamide is sourced from PubChem (CID 103801005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).