N-[4-[2-[(4-methoxyoxan-4-yl)methylamino]-2-oxoethyl]phenyl]prop-2-enamide

C18H24N2O4 — CID 166420246

IUPACN-[4-[2-[(4-methoxyoxan-4-yl)methylamino]-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CC(=O)NCC2(OC)CCOCC2)cc1
InChIInChI=1S/C18H24N2O4/c1-3-16(21)20-15-6-4-14(5-7-15)12-17(22)19-13-18(23-2)8-10-24-11-9-18/h3-7H,1,8-13H2,2H3,(H,19,22)(H,20,21)
InChIKeyAYZIXNVYUFHZRT-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.67
Rot. Bonds7

About N-[4-[2-[(4-methoxyoxan-4-yl)methylamino]-2-oxoethyl]phenyl]prop-2-enamide

N-[4-[2-[(4-methoxyoxan-4-yl)methylamino]-2-oxoethyl]phenyl]prop-2-enamide (PubChem CID 166420246) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[4-[2-[(4-methoxyoxan-4-yl)methylamino]-2-oxoethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[2-[(4-methoxyoxan-4-yl)methylamino]-2-oxoethyl]phenyl]prop-2-enamide
PubChem CID166420246
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-[4-[2-[(4-methoxyoxan-4-yl)methylamino]-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CC(=O)NCC2(OC)CCOCC2)cc1
InChIInChI=1S/C18H24N2O4/c1-3-16(21)20-15-6-4-14(5-7-15)12-17(22)19-13-18(23-2)8-10-24-11-9-18/h3-7H,1,8-13H2,2H3,(H,19,22)(H,20,21)
InChIKeyAYZIXNVYUFHZRT-UHFFFAOYSA-N
XLogP1.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-[2-[(4-methoxyoxan-4-yl)methylamino]-2-oxoethyl]phenyl]prop-2-enamide 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

methyl 2-[4-(prop-2-enoylamino)phenyl]acetate
CID 14209754
1-[(3-methoxyoxolan-3-yl)methyl]-3-phenylthiourea
CID 104704463
N-[4-[2-[methyl(oxan-4-ylmethyl)amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420245
1-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]cyclopentane-1-carboxamide
CID 166421213
1-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]cyclobutane-1-carboxamide
CID 166421359
N-[4-[2-[1-(1-hydroxycyclohexyl)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420251
N-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]phenyl]prop-2-enamide
CID 166421133
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104761415
methyl N-[4-[(prop-2-enoylamino)methyl]phenyl]carbamate
CID 115357516
4-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
CID 104766199
1-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylindol-6-yl)urea
CID 126791651
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104764327

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4-methoxyoxan-4-yl)methylamino]-2-oxoethyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[2-[(4-methoxyoxan-4-yl)methylamino]-2-oxoethyl]phenyl]prop-2-enamide (CID 166420246) is N-[4-[2-[(4-methoxyoxan-4-yl)methylamino]-2-oxoethyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[2-[(4-methoxyoxan-4-yl)methylamino]-2-oxoethyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[2-[(4-methoxyoxan-4-yl)methylamino]-2-oxoethyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(CC(=O)NCC2(OC)CCOCC2)cc1.
What is the InChIKey of N-[4-[2-[(4-methoxyoxan-4-yl)methylamino]-2-oxoethyl]phenyl]prop-2-enamide?
The InChIKey is AYZIXNVYUFHZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-3-16(21)20-15-6-4-14(5-7-15)12-17(22)19-13-18(23-2)8-10-24-11-9-18/h3-7H,1,8-13H2,2H3,(H,19,22)(H,20,21).
What are the key properties of N-[4-[2-[(4-methoxyoxan-4-yl)methylamino]-2-oxoethyl]phenyl]prop-2-enamide?
N-[4-[2-[(4-methoxyoxan-4-yl)methylamino]-2-oxoethyl]phenyl]prop-2-enamide has a molecular weight of 332.40 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4-methoxyoxan-4-yl)methylamino]-2-oxoethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166420246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).