N-[3-[3-[di(propan-2-yl)amino]propoxy]-4-methoxyphenyl]-3-(furan-3-yl)prop-2-enamide

C23H32N2O4 — CID 54281713

IUPACN-[3-[3-[di(propan-2-yl)amino]propoxy]-4-methoxyphenyl]-3-(furan-3-yl)prop-2-enamide
SMILESCOc1ccc(NC(=O)C=Cc2ccoc2)cc1OCCCN(C(C)C)C(C)C
InChIInChI=1S/C23H32N2O4/c1-17(2)25(18(3)4)12-6-13-29-22-15-20(8-9-21(22)27-5)24-23(26)10-7-19-11-14-28-16-19/h7-11,14-18H,6,12-13H2,1-5H3,(H,24,26)
InChIKeyRRFUJYYODQGBLE-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.83
Rot. Bonds11

About N-[3-[3-[di(propan-2-yl)amino]propoxy]-4-methoxyphenyl]-3-(furan-3-yl)prop-2-enamide

N-[3-[3-[di(propan-2-yl)amino]propoxy]-4-methoxyphenyl]-3-(furan-3-yl)prop-2-enamide (PubChem CID 54281713) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[3-[3-[di(propan-2-yl)amino]propoxy]-4-methoxyphenyl]-3-(furan-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[3-[3-[di(propan-2-yl)amino]propoxy]-4-methoxyphenyl]-3-(furan-3-yl)prop-2-enamide
PubChem CID54281713
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC NameN-[3-[3-[di(propan-2-yl)amino]propoxy]-4-methoxyphenyl]-3-(furan-3-yl)prop-2-enamide
SMILESCOc1ccc(NC(=O)C=Cc2ccoc2)cc1OCCCN(C(C)C)C(C)C
InChIInChI=1S/C23H32N2O4/c1-17(2)25(18(3)4)12-6-13-29-22-15-20(8-9-21(22)27-5)24-23(26)10-7-19-11-14-28-16-19/h7-11,14-18H,6,12-13H2,1-5H3,(H,24,26)
InChIKeyRRFUJYYODQGBLE-UHFFFAOYSA-N
XLogP4.83
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-(3,4-dichlorophenyl)-N-[3-[3-[di(propan-2-yl)amino]propoxy]-4-methoxyphenyl]prop-2-enamide
CID 139919476
(E)-3-(3,4-dimethylphenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]prop-2-enamide
CID 70143460
(E)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 70143148
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-3-pyridin-3-ylprop-2-enamide
CID 54439942
(E)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-3-(1H-indol-6-yl)prop-2-enamide
CID 70144749
3-(2,4-difluorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]prop-2-enamide
CID 54229269
3-(4-bromophenyl)-N-[3-[3-[di(propan-2-yl)amino]propyl]-4-methoxyphenyl]prop-2-enamide
CID 54191020
N-[3-[3-(dipropylamino)propoxy]-4-methoxyphenyl]-3-(4-propylphenyl)prop-2-enamide
CID 70145513
(E)-3-(2-chloro-4-fluorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]prop-2-enamide;(E)-3-(2-chloro-4-fluorophenyl)-N-[3-[3-[di(propan-2-yl)amino]propyl]-4-methoxyphenyl]prop-2-enamide
CID 70145615
(E)-3-(4-ethoxyphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 32519046
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-(4-butoxy-3-methoxyphenyl)prop-2-enamide
CID 55744196
N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 5102222

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[di(propan-2-yl)amino]propoxy]-4-methoxyphenyl]-3-(furan-3-yl)prop-2-enamide?
The IUPAC name of N-[3-[3-[di(propan-2-yl)amino]propoxy]-4-methoxyphenyl]-3-(furan-3-yl)prop-2-enamide (CID 54281713) is N-[3-[3-[di(propan-2-yl)amino]propoxy]-4-methoxyphenyl]-3-(furan-3-yl)prop-2-enamide.
What is the SMILES notation for N-[3-[3-[di(propan-2-yl)amino]propoxy]-4-methoxyphenyl]-3-(furan-3-yl)prop-2-enamide?
The canonical SMILES for N-[3-[3-[di(propan-2-yl)amino]propoxy]-4-methoxyphenyl]-3-(furan-3-yl)prop-2-enamide is COc1ccc(NC(=O)C=Cc2ccoc2)cc1OCCCN(C(C)C)C(C)C.
What is the InChIKey of N-[3-[3-[di(propan-2-yl)amino]propoxy]-4-methoxyphenyl]-3-(furan-3-yl)prop-2-enamide?
The InChIKey is RRFUJYYODQGBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-17(2)25(18(3)4)12-6-13-29-22-15-20(8-9-21(22)27-5)24-23(26)10-7-19-11-14-28-16-19/h7-11,14-18H,6,12-13H2,1-5H3,(H,24,26).
What are the key properties of N-[3-[3-[di(propan-2-yl)amino]propoxy]-4-methoxyphenyl]-3-(furan-3-yl)prop-2-enamide?
N-[3-[3-[di(propan-2-yl)amino]propoxy]-4-methoxyphenyl]-3-(furan-3-yl)prop-2-enamide has a molecular weight of 400.52 g/mol, XLogP of 4.83, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[di(propan-2-yl)amino]propoxy]-4-methoxyphenyl]-3-(furan-3-yl)prop-2-enamide is sourced from PubChem (CID 54281713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).