(E)-3-phenyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]prop-2-enamide

C18H28N2O3 — CID 155475641

IUPAC(E)-3-phenyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]prop-2-enamide
SMILESCC(C)NCCOCCOCCNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H28N2O3/c1-16(2)19-10-12-22-14-15-23-13-11-20-18(21)9-8-17-6-4-3-5-7-17/h3-9,16,19H,10-15H2,1-2H3,(H,20,21)/b9-8+
InChIKeyAYNBAGVLCBADMV-CMDGGOBGSA-N
MW320.43 g/mol
LogP1.85
Rot. Bonds12

About (E)-3-phenyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]prop-2-enamide

(E)-3-phenyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]prop-2-enamide (PubChem CID 155475641) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is (E)-3-phenyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]prop-2-enamide
PubChem CID155475641
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name(E)-3-phenyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]prop-2-enamide
SMILESCC(C)NCCOCCOCCNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H28N2O3/c1-16(2)19-10-12-22-14-15-23-13-11-20-18(21)9-8-17-6-4-3-5-7-17/h3-9,16,19H,10-15H2,1-2H3,(H,20,21)/b9-8+
InChIKeyAYNBAGVLCBADMV-CMDGGOBGSA-N
XLogP1.85
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-phenylprop-2-enamide;hydrochloride
CID 169083645
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine;(E)-N-(2-methoxyethyl)-3-phenylprop-2-enamide;(E)-3-phenylprop-2-enoyl chloride
CID 158274311
N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide
CID 76948085
(E)-N-(3-hydroxy-4-methoxybutyl)-3-phenylprop-2-enamide
CID 113343565
(2S)-3-hydroxy-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]propanamide
CID 163193968
(E)-N-[2-(2-aminoethoxy)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 82354263
3-hydroxy-2-methylidene-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]butanamide
CID 10358401
(E)-N-(2-aminopropyl)-3-phenylprop-2-enamide
CID 63733129
methyl 4-[(E)-3-oxo-3-(2-phenoxyethylamino)prop-1-enyl]benzoate
CID 26903189
(E)-N-(2-phenylethyl)-3-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 930103
(2S)-2-hydroxy-4-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 107833894

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]prop-2-enamide (CID 155475641) is (E)-3-phenyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]prop-2-enamide is CC(C)NCCOCCOCCNC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-3-phenyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]prop-2-enamide?
The InChIKey is AYNBAGVLCBADMV-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-16(2)19-10-12-22-14-15-23-13-11-20-18(21)9-8-17-6-4-3-5-7-17/h3-9,16,19H,10-15H2,1-2H3,(H,20,21)/b9-8+.
What are the key properties of (E)-3-phenyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]prop-2-enamide?
(E)-3-phenyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]prop-2-enamide has a molecular weight of 320.43 g/mol, XLogP of 1.85, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]prop-2-enamide is sourced from PubChem (CID 155475641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).