N-(2-aminophenyl)-4-(3-morpholin-4-yl-3-oxoprop-1-enyl)benzamide

C20H21N3O3 — CID 68976485

IUPACN-(2-aminophenyl)-4-(3-morpholin-4-yl-3-oxoprop-1-enyl)benzamide
SMILESNc1ccccc1NC(=O)c1ccc(C=CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H21N3O3/c21-17-3-1-2-4-18(17)22-20(25)16-8-5-15(6-9-16)7-10-19(24)23-11-13-26-14-12-23/h1-10H,11-14,21H2,(H,22,25)
InChIKeyRVSQHCNMJFMHFV-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.39
Rot. Bonds4

About N-(2-aminophenyl)-4-(3-morpholin-4-yl-3-oxoprop-1-enyl)benzamide

N-(2-aminophenyl)-4-(3-morpholin-4-yl-3-oxoprop-1-enyl)benzamide (PubChem CID 68976485) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(3-morpholin-4-yl-3-oxoprop-1-enyl)benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(3-morpholin-4-yl-3-oxoprop-1-enyl)benzamide
PubChem CID68976485
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(2-aminophenyl)-4-(3-morpholin-4-yl-3-oxoprop-1-enyl)benzamide
SMILESNc1ccccc1NC(=O)c1ccc(C=CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H21N3O3/c21-17-3-1-2-4-18(17)22-20(25)16-8-5-15(6-9-16)7-10-19(24)23-11-13-26-14-12-23/h1-10H,11-14,21H2,(H,22,25)
InChIKeyRVSQHCNMJFMHFV-UHFFFAOYSA-N
XLogP2.39
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]benzamide
CID 35554708
3-(4-acetylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 78163324
N-(2-aminophenyl)-4-[(E)-3-oxoprop-1-enyl]benzamide
CID 141088053
N-[(3S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]morpholine-4-carboxamide
CID 25071026
4-[3-(N-aminoanilino)-3-oxoprop-1-enyl]-N-(2-aminophenyl)benzamide
CID 66893885
N-(2-aminophenyl)-4-[3-(2,3-dihydro-1H-inden-2-ylamino)-3-oxoprop-1-enyl]benzamide
CID 68977988
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 119422749
N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide;hydrochloride
CID 119422748
N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
N-[5-chloro-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 43914829
(E)-N-(2-aminophenyl)-3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride
CID 140526726

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-(3-morpholin-4-yl-3-oxoprop-1-enyl)benzamide?
The IUPAC name of N-(2-aminophenyl)-4-(3-morpholin-4-yl-3-oxoprop-1-enyl)benzamide (CID 68976485) is N-(2-aminophenyl)-4-(3-morpholin-4-yl-3-oxoprop-1-enyl)benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-(3-morpholin-4-yl-3-oxoprop-1-enyl)benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-(3-morpholin-4-yl-3-oxoprop-1-enyl)benzamide is Nc1ccccc1NC(=O)c1ccc(C=CC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-(3-morpholin-4-yl-3-oxoprop-1-enyl)benzamide?
The InChIKey is RVSQHCNMJFMHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c21-17-3-1-2-4-18(17)22-20(25)16-8-5-15(6-9-16)7-10-19(24)23-11-13-26-14-12-23/h1-10H,11-14,21H2,(H,22,25).
What are the key properties of N-(2-aminophenyl)-4-(3-morpholin-4-yl-3-oxoprop-1-enyl)benzamide?
N-(2-aminophenyl)-4-(3-morpholin-4-yl-3-oxoprop-1-enyl)benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(3-morpholin-4-yl-3-oxoprop-1-enyl)benzamide is sourced from PubChem (CID 68976485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).