(2R)-2-(2-methoxyanilino)-N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide

C21H25N3O2 — CID 51416670

IUPAC(2R)-2-(2-methoxyanilino)-N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide
SMILESCC[C@@H](Nc1ccccc1OC)C(=O)N/N=C(C)\C=C\c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-4-18(22-19-12-8-9-13-20(19)26-3)21(25)24-23-16(2)14-15-17-10-6-5-7-11-17/h5-15,18,22H,4H2,1-3H3,(H,24,25)/b15-14+,23-16-/t18-/m1/s1
InChIKeyMWQBPXQOPCATMW-WJOBASLESA-N
MW351.45 g/mol
LogP4.09
Rot. Bonds8

About (2R)-2-(2-methoxyanilino)-N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide

(2R)-2-(2-methoxyanilino)-N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide (PubChem CID 51416670) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (2R)-2-(2-methoxyanilino)-N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide.

Molecular Properties

Compound Name(2R)-2-(2-methoxyanilino)-N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide
PubChem CID51416670
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(2R)-2-(2-methoxyanilino)-N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide
SMILESCC[C@@H](Nc1ccccc1OC)C(=O)N/N=C(C)\C=C\c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-4-18(22-19-12-8-9-13-20(19)26-3)21(25)24-23-16(2)14-15-17-10-6-5-7-11-17/h5-15,18,22H,4H2,1-3H3,(H,24,25)/b15-14+,23-16-/t18-/m1/s1
InChIKeyMWQBPXQOPCATMW-WJOBASLESA-N
XLogP4.09
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]carbamate
CID 7072066
2,2-diphenyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 129431826
4-methoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 7348333
N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511
(2S)-N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxyanilino)butanamide
CID 999687
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-phenylprop-2-enoate
CID 3600561
N,N'-bis[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]octanediamide
CID 6321551
(2S)-2-(2-methoxyanilino)pentanoic acid
CID 40788460
2-(4-methylanilino)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]propanamide
CID 11838215
(2R)-2-(4-methylanilino)-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]propanamide
CID 129440267
N-[4-(furan-2-yl)but-3-en-2-ylideneamino]-2-(2-methoxyanilino)acetamide
CID 3998227
2-[(2-methoxyphenyl)carbamoylamino]butanoic acid
CID 43469980

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxyanilino)-N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide?
The IUPAC name of (2R)-2-(2-methoxyanilino)-N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide (CID 51416670) is (2R)-2-(2-methoxyanilino)-N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide.
What is the SMILES notation for (2R)-2-(2-methoxyanilino)-N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide?
The canonical SMILES for (2R)-2-(2-methoxyanilino)-N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide is CC[C@@H](Nc1ccccc1OC)C(=O)N/N=C(C)\C=C\c1ccccc1.
What is the InChIKey of (2R)-2-(2-methoxyanilino)-N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide?
The InChIKey is MWQBPXQOPCATMW-WJOBASLESA-N. The full InChI is InChI=1S/C21H25N3O2/c1-4-18(22-19-12-8-9-13-20(19)26-3)21(25)24-23-16(2)14-15-17-10-6-5-7-11-17/h5-15,18,22H,4H2,1-3H3,(H,24,25)/b15-14+,23-16-/t18-/m1/s1.
What are the key properties of (2R)-2-(2-methoxyanilino)-N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide?
(2R)-2-(2-methoxyanilino)-N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide has a molecular weight of 351.45 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxyanilino)-N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide is sourced from PubChem (CID 51416670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).