N-cyclopropyl-4-[(E)-3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxoprop-1-enyl]benzamide

C23H24F2N2O4 — CID 35711392

IUPACN-cyclopropyl-4-[(E)-3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxoprop-1-enyl]benzamide
SMILESCOc1cc(CCNC(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)ccc1OC(F)F
InChIInChI=1S/C23H24F2N2O4/c1-30-20-14-16(4-10-19(20)31-23(24)25)12-13-26-21(28)11-5-15-2-6-17(7-3-15)22(29)27-18-8-9-18/h2-7,10-11,14,18,23H,8-9,12-13H2,1H3,(H,26,28)(H,27,29)/b11-5+
InChIKeyPSEOQMQQDJIGQQ-VZUCSPMQSA-N
MW430.45 g/mol
LogP3.56
Rot. Bonds10

About N-cyclopropyl-4-[(E)-3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxoprop-1-enyl]benzamide

N-cyclopropyl-4-[(E)-3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxoprop-1-enyl]benzamide (PubChem CID 35711392) has the molecular formula C23H24F2N2O4 and a molecular weight of 430.45 g/mol. Its IUPAC name is N-cyclopropyl-4-[(E)-3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(E)-3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxoprop-1-enyl]benzamide
PubChem CID35711392
Molecular FormulaC23H24F2N2O4
Molecular Weight430.45 g/mol
Exact Mass430.17
IUPAC NameN-cyclopropyl-4-[(E)-3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxoprop-1-enyl]benzamide
SMILESCOc1cc(CCNC(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)ccc1OC(F)F
InChIInChI=1S/C23H24F2N2O4/c1-30-20-14-16(4-10-19(20)31-23(24)25)12-13-26-21(28)11-5-15-2-6-17(7-3-15)22(29)27-18-8-9-18/h2-7,10-11,14,18,23H,8-9,12-13H2,1H3,(H,26,28)(H,27,29)/b11-5+
InChIKeyPSEOQMQQDJIGQQ-VZUCSPMQSA-N
XLogP3.56
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 53.56
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

(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]prop-2-enamide
CID 18204069
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 66805220
N-cyclopropyl-4-[(E)-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]benzamide
CID 35551214
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-4-(methoxymethyl)benzamide
CID 9482427
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 5141905
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6282757
N-cyclopropyl-4-[(E)-3-[(2,5-dimethoxyphenyl)methylamino]-3-oxoprop-1-enyl]benzamide
CID 46649997
N-cyclopropyl-4-[(E)-3-(3-methoxypropylamino)-3-oxoprop-1-enyl]benzamide
CID 35556653
(E)-3-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 31254061
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methylbutyl)prop-2-enamide
CID 2677238
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-methoxy-4-methylbenzamide
CID 8528927

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(E)-3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxoprop-1-enyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[(E)-3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxoprop-1-enyl]benzamide (CID 35711392) is N-cyclopropyl-4-[(E)-3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(E)-3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(E)-3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxoprop-1-enyl]benzamide is COc1cc(CCNC(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)ccc1OC(F)F.
What is the InChIKey of N-cyclopropyl-4-[(E)-3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxoprop-1-enyl]benzamide?
The InChIKey is PSEOQMQQDJIGQQ-VZUCSPMQSA-N. The full InChI is InChI=1S/C23H24F2N2O4/c1-30-20-14-16(4-10-19(20)31-23(24)25)12-13-26-21(28)11-5-15-2-6-17(7-3-15)22(29)27-18-8-9-18/h2-7,10-11,14,18,23H,8-9,12-13H2,1H3,(H,26,28)(H,27,29)/b11-5+.
What are the key properties of N-cyclopropyl-4-[(E)-3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxoprop-1-enyl]benzamide?
N-cyclopropyl-4-[(E)-3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxoprop-1-enyl]benzamide has a molecular weight of 430.45 g/mol, XLogP of 3.56, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(E)-3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 35711392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).