N-[3-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide

C24H29N3O3 — CID 60536121

IUPACN-[3-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
SMILESCc1ccc(/C=C/C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)cc1
InChIInChI=1S/C24H29N3O3/c1-19-5-7-20(8-6-19)9-10-23(28)25-18-21-3-2-4-22(17-21)26-24(29)11-12-27-13-15-30-16-14-27/h2-10,17H,11-16,18H2,1H3,(H,25,28)(H,26,29)/b10-9+
InChIKeyGJIAGOYKZULDML-MDZDMXLPSA-N
MW407.51 g/mol
LogP2.99
Rot. Bonds8

About N-[3-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide

N-[3-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide (PubChem CID 60536121) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[3-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[3-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
PubChem CID60536121
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[3-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
SMILESCc1ccc(/C=C/C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)cc1
InChIInChI=1S/C24H29N3O3/c1-19-5-7-20(8-6-19)9-10-23(28)25-18-21-3-2-4-22(17-21)26-24(29)11-12-27-13-15-30-16-14-27/h2-10,17H,11-16,18H2,1H3,(H,25,28)(H,26,29)/b10-9+
InChIKeyGJIAGOYKZULDML-MDZDMXLPSA-N
XLogP2.99
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[3-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methylamino]-3-oxoprop-1-enyl]benzamide
CID 55888484
3-morpholin-4-yl-N-[3-[[3-[2-(trifluoromethoxy)phenyl]prop-2-enoylamino]methyl]phenyl]propanamide
CID 55990563
N-[3-[[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 55887472
N-[3-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 55886714
1-amino-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119849215
1-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]indole-3-carboxamide
CID 55991087
(E)-3-(4-methylphenyl)-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108934709
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide
CID 60536022
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide
CID 86937453
5-amino-2-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide;dihydrochloride
CID 120642238
3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide
CID 55946576
N-[3-[[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 111136263

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[3-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide (CID 60536121) is N-[3-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[3-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[3-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide is Cc1ccc(/C=C/C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)cc1.
What is the InChIKey of N-[3-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide?
The InChIKey is GJIAGOYKZULDML-MDZDMXLPSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-19-5-7-20(8-6-19)9-10-23(28)25-18-21-3-2-4-22(17-21)26-24(29)11-12-27-13-15-30-16-14-27/h2-10,17H,11-16,18H2,1H3,(H,25,28)(H,26,29)/b10-9+.
What are the key properties of N-[3-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide?
N-[3-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide has a molecular weight of 407.51 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 60536121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).