3-[benzyl-[3-(4-morpholin-4-ylphenyl)prop-2-enoyl]amino]propanamide

C23H27N3O3 — CID 72689409

IUPAC3-[benzyl-[3-(4-morpholin-4-ylphenyl)prop-2-enoyl]amino]propanamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)C=Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H27N3O3/c24-22(27)12-13-26(18-20-4-2-1-3-5-20)23(28)11-8-19-6-9-21(10-7-19)25-14-16-29-17-15-25/h1-11H,12-18H2,(H2,24,27)
InChIKeyMVASPBBRRBRWHH-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.44
Rot. Bonds8

About 3-[benzyl-[3-(4-morpholin-4-ylphenyl)prop-2-enoyl]amino]propanamide

3-[benzyl-[3-(4-morpholin-4-ylphenyl)prop-2-enoyl]amino]propanamide (PubChem CID 72689409) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-[benzyl-[3-(4-morpholin-4-ylphenyl)prop-2-enoyl]amino]propanamide.

Molecular Properties

Compound Name3-[benzyl-[3-(4-morpholin-4-ylphenyl)prop-2-enoyl]amino]propanamide
PubChem CID72689409
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name3-[benzyl-[3-(4-morpholin-4-ylphenyl)prop-2-enoyl]amino]propanamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)C=Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H27N3O3/c24-22(27)12-13-26(18-20-4-2-1-3-5-20)23(28)11-8-19-6-9-21(10-7-19)25-14-16-29-17-15-25/h1-11H,12-18H2,(H2,24,27)
InChIKeyMVASPBBRRBRWHH-UHFFFAOYSA-N
XLogP2.44
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-phenylprop-2-enamide
CID 26972711
3-[benzyl-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]propanamide
CID 28642606
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
(E)-N-benzyl-N-[2-[benzyl-[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]ethyl]-3-(4-chlorophenyl)prop-2-enamide
CID 17195946
3-[benzyl(prop-2-enoyl)amino]propanamide
CID 54875316
1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one
CID 57031748
methyl (2S)-2-[(4-morpholin-4-ylphenyl)methyl-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-3-phenylpropanoate
CID 67385049
(E)-N-benzyl-N-(3-oxopropyl)-3-phenylprop-2-enamide
CID 11077226
5-(4-morpholin-4-ylphenyl)pentanamide
CID 155168497
(E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide
CID 6004837
(E)-N-[[2-(3-morpholin-4-ylpropoxy)phenyl]methyl]-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 22764059
ethyl 3-(4-morpholin-4-ylphenyl)prop-2-enoate
CID 134129593

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-[3-(4-morpholin-4-ylphenyl)prop-2-enoyl]amino]propanamide?
The IUPAC name of 3-[benzyl-[3-(4-morpholin-4-ylphenyl)prop-2-enoyl]amino]propanamide (CID 72689409) is 3-[benzyl-[3-(4-morpholin-4-ylphenyl)prop-2-enoyl]amino]propanamide.
What is the SMILES notation for 3-[benzyl-[3-(4-morpholin-4-ylphenyl)prop-2-enoyl]amino]propanamide?
The canonical SMILES for 3-[benzyl-[3-(4-morpholin-4-ylphenyl)prop-2-enoyl]amino]propanamide is NC(=O)CCN(Cc1ccccc1)C(=O)C=Cc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-[benzyl-[3-(4-morpholin-4-ylphenyl)prop-2-enoyl]amino]propanamide?
The InChIKey is MVASPBBRRBRWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c24-22(27)12-13-26(18-20-4-2-1-3-5-20)23(28)11-8-19-6-9-21(10-7-19)25-14-16-29-17-15-25/h1-11H,12-18H2,(H2,24,27).
What are the key properties of 3-[benzyl-[3-(4-morpholin-4-ylphenyl)prop-2-enoyl]amino]propanamide?
3-[benzyl-[3-(4-morpholin-4-ylphenyl)prop-2-enoyl]amino]propanamide has a molecular weight of 393.49 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-[3-(4-morpholin-4-ylphenyl)prop-2-enoyl]amino]propanamide is sourced from PubChem (CID 72689409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).