N-[(Z)-1-(furan-2-yl)-3-[4-(1-methylpiperidin-4-yl)oxyanilino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide

C27H29N3O5 — CID 100757408

IUPACN-[(Z)-1-(furan-2-yl)-3-[4-(1-methylpiperidin-4-yl)oxyanilino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C27H29N3O5/c1-30-15-13-23(14-16-30)35-22-11-7-20(8-12-22)28-27(32)25(18-24-4-3-17-34-24)29-26(31)19-5-9-21(33-2)10-6-19/h3-12,17-18,23H,13-16H2,1-2H3,(H,28,32)(H,29,31)/b25-18-
InChIKeyFXSZZAQHOMHGPK-BWAHOGKJSA-N
MW475.55 g/mol
LogP4.17
Rot. Bonds8

About N-[(Z)-1-(furan-2-yl)-3-[4-(1-methylpiperidin-4-yl)oxyanilino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide

N-[(Z)-1-(furan-2-yl)-3-[4-(1-methylpiperidin-4-yl)oxyanilino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide (PubChem CID 100757408) has the molecular formula C27H29N3O5 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-[(Z)-1-(furan-2-yl)-3-[4-(1-methylpiperidin-4-yl)oxyanilino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(furan-2-yl)-3-[4-(1-methylpiperidin-4-yl)oxyanilino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
PubChem CID100757408
Molecular FormulaC27H29N3O5
Molecular Weight475.55 g/mol
Exact Mass475.21
IUPAC NameN-[(Z)-1-(furan-2-yl)-3-[4-(1-methylpiperidin-4-yl)oxyanilino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C27H29N3O5/c1-30-15-13-23(14-16-30)35-22-11-7-20(8-12-22)28-27(32)25(18-24-4-3-17-34-24)29-26(31)19-5-9-21(33-2)10-6-19/h3-12,17-18,23H,13-16H2,1-2H3,(H,28,32)(H,29,31)/b25-18-
InChIKeyFXSZZAQHOMHGPK-BWAHOGKJSA-N
XLogP4.17
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-(furan-2-yl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 100753628
N-[(Z)-1-(furan-2-yl)-3-(4-methylanilino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 40520569
methyl (E)-3-(furan-2-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoate
CID 10357490
methyl 4-[[2-[(4-bromobenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 1352169
4-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide
CID 103599554
N-[(Z)-3-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 100535900
N-[(Z)-3-[4-(4-fluorophenoxy)piperidin-1-yl]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 86958535
N-[(Z)-3-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 125053758
4-[[(E)-3-(furan-2-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]benzoic acid
CID 2270500
N-[(E)-3-(4-chloroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2274338
N-[1-(furan-2-yl)-3-(4-hydroxyanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 828229
N-[(E)-1-(furan-2-yl)-3-oxo-3-[[(1S)-1-phenylethyl]amino]prop-1-en-2-yl]-4-methoxybenzamide
CID 7378501

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(furan-2-yl)-3-[4-(1-methylpiperidin-4-yl)oxyanilino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[(Z)-1-(furan-2-yl)-3-[4-(1-methylpiperidin-4-yl)oxyanilino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide (CID 100757408) is N-[(Z)-1-(furan-2-yl)-3-[4-(1-methylpiperidin-4-yl)oxyanilino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[(Z)-1-(furan-2-yl)-3-[4-(1-methylpiperidin-4-yl)oxyanilino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[(Z)-1-(furan-2-yl)-3-[4-(1-methylpiperidin-4-yl)oxyanilino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1.
What is the InChIKey of N-[(Z)-1-(furan-2-yl)-3-[4-(1-methylpiperidin-4-yl)oxyanilino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide?
The InChIKey is FXSZZAQHOMHGPK-BWAHOGKJSA-N. The full InChI is InChI=1S/C27H29N3O5/c1-30-15-13-23(14-16-30)35-22-11-7-20(8-12-22)28-27(32)25(18-24-4-3-17-34-24)29-26(31)19-5-9-21(33-2)10-6-19/h3-12,17-18,23H,13-16H2,1-2H3,(H,28,32)(H,29,31)/b25-18-.
What are the key properties of N-[(Z)-1-(furan-2-yl)-3-[4-(1-methylpiperidin-4-yl)oxyanilino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide?
N-[(Z)-1-(furan-2-yl)-3-[4-(1-methylpiperidin-4-yl)oxyanilino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide has a molecular weight of 475.55 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(furan-2-yl)-3-[4-(1-methylpiperidin-4-yl)oxyanilino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 100757408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).