N-(3,4-dipropoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

C24H30N2O4 — CID 55350434

IUPACN-(3,4-dipropoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
SMILESCCCOc1ccc(NC(=O)C(C)NC(=O)/C=C/c2ccccc2)cc1OCCC
InChIInChI=1S/C24H30N2O4/c1-4-15-29-21-13-12-20(17-22(21)30-16-5-2)26-24(28)18(3)25-23(27)14-11-19-9-7-6-8-10-19/h6-14,17-18H,4-5,15-16H2,1-3H3,(H,25,27)(H,26,28)/b14-11+
InChIKeyQJFJAHAVKJFURS-SDNWHVSQSA-N
MW410.51 g/mol
LogP4.42
Rot. Bonds11

About N-(3,4-dipropoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

N-(3,4-dipropoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide (PubChem CID 55350434) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-(3,4-dipropoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide.

Molecular Properties

Compound NameN-(3,4-dipropoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
PubChem CID55350434
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC NameN-(3,4-dipropoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
SMILESCCCOc1ccc(NC(=O)C(C)NC(=O)/C=C/c2ccccc2)cc1OCCC
InChIInChI=1S/C24H30N2O4/c1-4-15-29-21-13-12-20(17-22(21)30-16-5-2)26-24(28)18(3)25-23(27)14-11-19-9-7-6-8-10-19/h6-14,17-18H,4-5,15-16H2,1-3H3,(H,25,27)(H,26,28)/b14-11+
InChIKeyQJFJAHAVKJFURS-SDNWHVSQSA-N
XLogP4.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.42
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

(2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 38084227
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 42941670
N-(4-acetamidophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51160433
2-chloro-N-[1-(3,4-dipropoxyanilino)-1-oxopropan-2-yl]benzamide
CID 43007187
N-(4-methoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51161656
methyl 4-[[(2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]benzoate
CID 9068812
N-[2-(2-methoxyphenoxy)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51161276
N-methyl-2-(3-phenylprop-2-enoylamino)propanamide
CID 75266241
(2S)-N-[4-(cyanomethyl)phenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 9260813
(E)-3-(3-ethoxy-4-propoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 134016624
(E)-N-(5-formyl-2-propoxyphenyl)-3-phenylprop-2-enamide
CID 94763034
(2S)-2-amino-N-(3,4-dipropoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119266014

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dipropoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The IUPAC name of N-(3,4-dipropoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide (CID 55350434) is N-(3,4-dipropoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide.
What is the SMILES notation for N-(3,4-dipropoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The canonical SMILES for N-(3,4-dipropoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide is CCCOc1ccc(NC(=O)C(C)NC(=O)/C=C/c2ccccc2)cc1OCCC.
What is the InChIKey of N-(3,4-dipropoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The InChIKey is QJFJAHAVKJFURS-SDNWHVSQSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-4-15-29-21-13-12-20(17-22(21)30-16-5-2)26-24(28)18(3)25-23(27)14-11-19-9-7-6-8-10-19/h6-14,17-18H,4-5,15-16H2,1-3H3,(H,25,27)(H,26,28)/b14-11+.
What are the key properties of N-(3,4-dipropoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
N-(3,4-dipropoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide has a molecular weight of 410.51 g/mol, XLogP of 4.42, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dipropoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide is sourced from PubChem (CID 55350434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).