N-cyclopropyl-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide

C15H22N2O3 — CID 111629887

IUPACN-cyclopropyl-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide
SMILESCCOc1ccc(NC(C)C(=O)NC2CC2)cc1CO
InChIInChI=1S/C15H22N2O3/c1-3-20-14-7-6-13(8-11(14)9-18)16-10(2)15(19)17-12-4-5-12/h6-8,10,12,16,18H,3-5,9H2,1-2H3,(H,17,19)
InChIKeySMINHAVBQCUUQH-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.66
Rot. Bonds7

About N-cyclopropyl-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide

N-cyclopropyl-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide (PubChem CID 111629887) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide
PubChem CID111629887
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-cyclopropyl-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide
SMILESCCOc1ccc(NC(C)C(=O)NC2CC2)cc1CO
InChIInChI=1S/C15H22N2O3/c1-3-20-14-7-6-13(8-11(14)9-18)16-10(2)15(19)17-12-4-5-12/h6-8,10,12,16,18H,3-5,9H2,1-2H3,(H,17,19)
InChIKeySMINHAVBQCUUQH-UHFFFAOYSA-N
XLogP1.66
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide
CID 110900389
2-[4-ethoxy-3-(hydroxymethyl)anilino]-N-[(2-methylphenyl)methyl]propanamide
CID 110900380
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
[2-ethoxy-5-[(4-propan-2-ylcyclohexyl)amino]phenyl]methanol
CID 62708979
2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 54880153
4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol
CID 106594412
(2S)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]oxolane-2-carboxamide
CID 93441465
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-methyloxolane-2-carboxamide
CID 81329971
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide
CID 103513891
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79201568
[2-ethoxy-5-[(3-methylcyclopentyl)amino]phenyl]methanol
CID 64500267
2-bromo-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-methylbutanamide
CID 54880127

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide (CID 111629887) is N-cyclopropyl-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide is CCOc1ccc(NC(C)C(=O)NC2CC2)cc1CO.
What is the InChIKey of N-cyclopropyl-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide?
The InChIKey is SMINHAVBQCUUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-20-14-7-6-13(8-11(14)9-18)16-10(2)15(19)17-12-4-5-12/h6-8,10,12,16,18H,3-5,9H2,1-2H3,(H,17,19).
What are the key properties of N-cyclopropyl-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide?
N-cyclopropyl-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide has a molecular weight of 278.35 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide is sourced from PubChem (CID 111629887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).