(E)-N-methyl-N-[4-[methyl-[(E)-3-phenylbut-2-enoyl]amino]butyl]-3-phenylbut-2-enamide

C26H32N2O2 — CID 166209803

IUPAC(E)-N-methyl-N-[4-[methyl-[(E)-3-phenylbut-2-enoyl]amino]butyl]-3-phenylbut-2-enamide
SMILESC/C(=C\C(=O)N(C)CCCCN(C)C(=O)/C=C(\C)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H32N2O2/c1-21(23-13-7-5-8-14-23)19-25(29)27(3)17-11-12-18-28(4)26(30)20-22(2)24-15-9-6-10-16-24/h5-10,13-16,19-20H,11-12,17-18H2,1-4H3/b21-19+,22-20+
InChIKeyDHRLYLQORDYVLF-FLFKKZLDSA-N
MW404.55 g/mol
LogP4.89
Rot. Bonds9

About (E)-N-methyl-N-[4-[methyl-[(E)-3-phenylbut-2-enoyl]amino]butyl]-3-phenylbut-2-enamide

(E)-N-methyl-N-[4-[methyl-[(E)-3-phenylbut-2-enoyl]amino]butyl]-3-phenylbut-2-enamide (PubChem CID 166209803) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is (E)-N-methyl-N-[4-[methyl-[(E)-3-phenylbut-2-enoyl]amino]butyl]-3-phenylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-N-[4-[methyl-[(E)-3-phenylbut-2-enoyl]amino]butyl]-3-phenylbut-2-enamide
PubChem CID166209803
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC Name(E)-N-methyl-N-[4-[methyl-[(E)-3-phenylbut-2-enoyl]amino]butyl]-3-phenylbut-2-enamide
SMILESC/C(=C\C(=O)N(C)CCCCN(C)C(=O)/C=C(\C)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H32N2O2/c1-21(23-13-7-5-8-14-23)19-25(29)27(3)17-11-12-18-28(4)26(30)20-22(2)24-15-9-6-10-16-24/h5-10,13-16,19-20H,11-12,17-18H2,1-4H3/b21-19+,22-20+
InChIKeyDHRLYLQORDYVLF-FLFKKZLDSA-N
XLogP4.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-methyl-N,3-diphenylbut-2-enamide
CID 11032331
(Z)-N-methoxy-N-methyl-3-phenylbut-2-enamide
CID 134920694
N-methyl-N-(3-phenylbut-2-enoyl)carbamoyl chloride
CID 173432083
(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylbut-2-enamide
CID 94193069
4-phenylpent-3-en-2-one
CID 594380
ethane;4-phenylpent-3-en-2-one
CID 123324566
3-phenylbut-2-enoate
CID 6995278
1-chloro-4-phenylpent-3-en-2-one
CID 88656703
N-(4-aminobutyl)-N-methylbenzamide
CID 119088367
N-(5-bromopentyl)-N-methylbenzamide
CID 10356494
N-methyl-N-(4-phenylbutyl)prop-2-enamide
CID 60949708
methyl (E)-3-phenylbut-2-enoate
CID 5354835

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N-[4-[methyl-[(E)-3-phenylbut-2-enoyl]amino]butyl]-3-phenylbut-2-enamide?
The IUPAC name of (E)-N-methyl-N-[4-[methyl-[(E)-3-phenylbut-2-enoyl]amino]butyl]-3-phenylbut-2-enamide (CID 166209803) is (E)-N-methyl-N-[4-[methyl-[(E)-3-phenylbut-2-enoyl]amino]butyl]-3-phenylbut-2-enamide.
What is the SMILES notation for (E)-N-methyl-N-[4-[methyl-[(E)-3-phenylbut-2-enoyl]amino]butyl]-3-phenylbut-2-enamide?
The canonical SMILES for (E)-N-methyl-N-[4-[methyl-[(E)-3-phenylbut-2-enoyl]amino]butyl]-3-phenylbut-2-enamide is C/C(=C\C(=O)N(C)CCCCN(C)C(=O)/C=C(\C)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-methyl-N-[4-[methyl-[(E)-3-phenylbut-2-enoyl]amino]butyl]-3-phenylbut-2-enamide?
The InChIKey is DHRLYLQORDYVLF-FLFKKZLDSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-21(23-13-7-5-8-14-23)19-25(29)27(3)17-11-12-18-28(4)26(30)20-22(2)24-15-9-6-10-16-24/h5-10,13-16,19-20H,11-12,17-18H2,1-4H3/b21-19+,22-20+.
What are the key properties of (E)-N-methyl-N-[4-[methyl-[(E)-3-phenylbut-2-enoyl]amino]butyl]-3-phenylbut-2-enamide?
(E)-N-methyl-N-[4-[methyl-[(E)-3-phenylbut-2-enoyl]amino]butyl]-3-phenylbut-2-enamide has a molecular weight of 404.55 g/mol, XLogP of 4.89, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N-[4-[methyl-[(E)-3-phenylbut-2-enoyl]amino]butyl]-3-phenylbut-2-enamide is sourced from PubChem (CID 166209803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).