N-[4-[[3-(2-methoxyphenyl)prop-2-enoylamino]carbamoyl]phenyl]propanamide

C20H21N3O4 — CID 5020772

IUPACN-[4-[[3-(2-methoxyphenyl)prop-2-enoylamino]carbamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)NNC(=O)C=Cc2ccccc2OC)cc1
InChIInChI=1S/C20H21N3O4/c1-3-18(24)21-16-11-8-15(9-12-16)20(26)23-22-19(25)13-10-14-6-4-5-7-17(14)27-2/h4-13H,3H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyYHHMZVFWQATBMM-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.52
Rot. Bonds6

About N-[4-[[3-(2-methoxyphenyl)prop-2-enoylamino]carbamoyl]phenyl]propanamide

N-[4-[[3-(2-methoxyphenyl)prop-2-enoylamino]carbamoyl]phenyl]propanamide (PubChem CID 5020772) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[4-[[3-(2-methoxyphenyl)prop-2-enoylamino]carbamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[3-(2-methoxyphenyl)prop-2-enoylamino]carbamoyl]phenyl]propanamide
PubChem CID5020772
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[4-[[3-(2-methoxyphenyl)prop-2-enoylamino]carbamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)NNC(=O)C=Cc2ccccc2OC)cc1
InChIInChI=1S/C20H21N3O4/c1-3-18(24)21-16-11-8-15(9-12-16)20(26)23-22-19(25)13-10-14-6-4-5-7-17(14)27-2/h4-13H,3H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyYHHMZVFWQATBMM-UHFFFAOYSA-N
XLogP2.52
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]benzohydrazide
CID 926990
N-[4-[[3-(2-methoxyphenyl)prop-2-enoylcarbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 5129481
N-(4-ethoxyphenyl)-4-[2-[3-(2-methoxyphenyl)prop-2-enoyl]hydrazinyl]-4-oxobutanamide
CID 3657148
N-butyl-4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzamide
CID 17195121
4-ethoxy-N-[4-[[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 55349799
4-tert-butyl-N-[4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17234965
ethyl 4-[3-(2-methoxyphenyl)prop-2-enoylamino]benzoate
CID 887040
[2-[(E)-3-oxo-3-[2-[4-[(2-phenylacetyl)amino]benzoyl]hydrazinyl]prop-1-enyl]phenyl] 4-methylbenzoate
CID 126046857
4-oxo-4-[2-[4-(propanoylamino)benzoyl]hydrazinyl]but-2-enoic acid
CID 3374526
N'-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 4789480
4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(3-methoxypropyl)benzamide
CID 17204984
(E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 1308180

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(2-methoxyphenyl)prop-2-enoylamino]carbamoyl]phenyl]propanamide?
The IUPAC name of N-[4-[[3-(2-methoxyphenyl)prop-2-enoylamino]carbamoyl]phenyl]propanamide (CID 5020772) is N-[4-[[3-(2-methoxyphenyl)prop-2-enoylamino]carbamoyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[[3-(2-methoxyphenyl)prop-2-enoylamino]carbamoyl]phenyl]propanamide?
The canonical SMILES for N-[4-[[3-(2-methoxyphenyl)prop-2-enoylamino]carbamoyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(=O)NNC(=O)C=Cc2ccccc2OC)cc1.
What is the InChIKey of N-[4-[[3-(2-methoxyphenyl)prop-2-enoylamino]carbamoyl]phenyl]propanamide?
The InChIKey is YHHMZVFWQATBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-3-18(24)21-16-11-8-15(9-12-16)20(26)23-22-19(25)13-10-14-6-4-5-7-17(14)27-2/h4-13H,3H2,1-2H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-[4-[[3-(2-methoxyphenyl)prop-2-enoylamino]carbamoyl]phenyl]propanamide?
N-[4-[[3-(2-methoxyphenyl)prop-2-enoylamino]carbamoyl]phenyl]propanamide has a molecular weight of 367.41 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(2-methoxyphenyl)prop-2-enoylamino]carbamoyl]phenyl]propanamide is sourced from PubChem (CID 5020772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).