N-methyl-2-[4-[2-[3-(2-morpholin-4-yl-2-oxoethoxy)propyl]phenyl]butylamino]prop-2-enamide

C23H35N3O4 — CID 145234854

IUPACN-methyl-2-[4-[2-[3-(2-morpholin-4-yl-2-oxoethoxy)propyl]phenyl]butylamino]prop-2-enamide
SMILESC=C(NCCCCc1ccccc1CCCOCC(=O)N1CCOCC1)C(=O)NC
InChIInChI=1S/C23H35N3O4/c1-19(23(28)24-2)25-12-6-5-10-20-8-3-4-9-21(20)11-7-15-30-18-22(27)26-13-16-29-17-14-26/h3-4,8-9,25H,1,5-7,10-18H2,2H3,(H,24,28)
InChIKeyALAPSSBVQQLHBP-UHFFFAOYSA-N
MW417.55 g/mol
LogP1.67
Rot. Bonds13

About N-methyl-2-[4-[2-[3-(2-morpholin-4-yl-2-oxoethoxy)propyl]phenyl]butylamino]prop-2-enamide

N-methyl-2-[4-[2-[3-(2-morpholin-4-yl-2-oxoethoxy)propyl]phenyl]butylamino]prop-2-enamide (PubChem CID 145234854) has the molecular formula C23H35N3O4 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-methyl-2-[4-[2-[3-(2-morpholin-4-yl-2-oxoethoxy)propyl]phenyl]butylamino]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-2-[4-[2-[3-(2-morpholin-4-yl-2-oxoethoxy)propyl]phenyl]butylamino]prop-2-enamide
PubChem CID145234854
Molecular FormulaC23H35N3O4
Molecular Weight417.55 g/mol
Exact Mass417.26
IUPAC NameN-methyl-2-[4-[2-[3-(2-morpholin-4-yl-2-oxoethoxy)propyl]phenyl]butylamino]prop-2-enamide
SMILESC=C(NCCCCc1ccccc1CCCOCC(=O)N1CCOCC1)C(=O)NC
InChIInChI=1S/C23H35N3O4/c1-19(23(28)24-2)25-12-6-5-10-20-8-3-4-9-21(20)11-7-15-30-18-22(27)26-13-16-29-17-14-26/h3-4,8-9,25H,1,5-7,10-18H2,2H3,(H,24,28)
InChIKeyALAPSSBVQQLHBP-UHFFFAOYSA-N
XLogP1.67
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-methyl-2-[4-[2-[3-(2-morpholin-4-yl-2-oxoethoxy)propyl]phenyl]butylamino]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

1-morpholin-4-yl-2-[3-(propan-2-ylamino)propoxy]ethanone
CID 62342996
3-morpholin-4-yl-3-oxo-N-(3-phenylpropyl)propanamide
CID 108943481
1-morpholin-4-yl-2-[2-(propylaminomethyl)phenoxy]ethanone
CID 43277297
4-(2-bromophenyl)-1-morpholin-4-ylbutan-1-one
CID 166222857
2-[2-methyl-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 115952262
N-(3-ethoxypropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 7162350
1-(3-ethoxypropyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea
CID 43076539
2-[2-fluoro-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 115952550
N-(2-morpholin-4-yl-2-oxoethyl)-2,2-diphenylacetamide
CID 110712346
2-[[(1R,4S)-4-amino-1,2,3,4-tetrahydronaphthalen-1-yl]methoxy]-1-morpholin-4-ylethanone
CID 163907921
2-morpholin-4-yl-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]acetamide
CID 124741961
N-(3-morpholin-4-yl-3-oxopropyl)-2-phenylacetamide
CID 29418767

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[2-[3-(2-morpholin-4-yl-2-oxoethoxy)propyl]phenyl]butylamino]prop-2-enamide?
The IUPAC name of N-methyl-2-[4-[2-[3-(2-morpholin-4-yl-2-oxoethoxy)propyl]phenyl]butylamino]prop-2-enamide (CID 145234854) is N-methyl-2-[4-[2-[3-(2-morpholin-4-yl-2-oxoethoxy)propyl]phenyl]butylamino]prop-2-enamide.
What is the SMILES notation for N-methyl-2-[4-[2-[3-(2-morpholin-4-yl-2-oxoethoxy)propyl]phenyl]butylamino]prop-2-enamide?
The canonical SMILES for N-methyl-2-[4-[2-[3-(2-morpholin-4-yl-2-oxoethoxy)propyl]phenyl]butylamino]prop-2-enamide is C=C(NCCCCc1ccccc1CCCOCC(=O)N1CCOCC1)C(=O)NC.
What is the InChIKey of N-methyl-2-[4-[2-[3-(2-morpholin-4-yl-2-oxoethoxy)propyl]phenyl]butylamino]prop-2-enamide?
The InChIKey is ALAPSSBVQQLHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O4/c1-19(23(28)24-2)25-12-6-5-10-20-8-3-4-9-21(20)11-7-15-30-18-22(27)26-13-16-29-17-14-26/h3-4,8-9,25H,1,5-7,10-18H2,2H3,(H,24,28).
What are the key properties of N-methyl-2-[4-[2-[3-(2-morpholin-4-yl-2-oxoethoxy)propyl]phenyl]butylamino]prop-2-enamide?
N-methyl-2-[4-[2-[3-(2-morpholin-4-yl-2-oxoethoxy)propyl]phenyl]butylamino]prop-2-enamide has a molecular weight of 417.55 g/mol, XLogP of 1.67, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[2-[3-(2-morpholin-4-yl-2-oxoethoxy)propyl]phenyl]butylamino]prop-2-enamide is sourced from PubChem (CID 145234854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).