(E)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide

C25H31NO5 — CID 55745702

IUPAC(E)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC(C)c2ccc(OC3CCCC3)c(OC)c2)cc1OC
InChIInChI=1S/C25H31NO5/c1-17(19-11-13-22(24(16-19)30-4)31-20-7-5-6-8-20)26-25(27)14-10-18-9-12-21(28-2)23(15-18)29-3/h9-17,20H,5-8H2,1-4H3,(H,26,27)/b14-10+
InChIKeyABUJENXMUPWUAC-GXDHUFHOSA-N
MW425.53 g/mol
LogP4.92
Rot. Bonds9

About (E)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide

(E)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide (PubChem CID 55745702) has the molecular formula C25H31NO5 and a molecular weight of 425.53 g/mol. Its IUPAC name is (E)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
PubChem CID55745702
Molecular FormulaC25H31NO5
Molecular Weight425.53 g/mol
Exact Mass425.22
IUPAC Name(E)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC(C)c2ccc(OC3CCCC3)c(OC)c2)cc1OC
InChIInChI=1S/C25H31NO5/c1-17(19-11-13-22(24(16-19)30-4)31-20-7-5-6-8-20)26-25(27)14-10-18-9-12-21(28-2)23(15-18)29-3/h9-17,20H,5-8H2,1-4H3,(H,26,27)/b14-10+
InChIKeyABUJENXMUPWUAC-GXDHUFHOSA-N
XLogP4.92
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,4-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 92674332
3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 912467
(E)-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 8962900
(E)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 92646063
(E)-3-(1,3-benzothiazol-2-yl)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]prop-2-enamide
CID 55781211
(E)-3-(4-cyclopentyloxy-3-methoxyphenyl)prop-2-enoic acid
CID 43147789
(E)-3-(4-cyclobutyloxy-3-methoxyphenyl)prop-2-enoic acid
CID 138464982
(Z)-N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 94062807
4-amino-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]butanamide
CID 119288180
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119721176
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119288176
(E)-3-(2,6-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 28560821

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide (CID 55745702) is (E)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)NC(C)c2ccc(OC3CCCC3)c(OC)c2)cc1OC.
What is the InChIKey of (E)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The InChIKey is ABUJENXMUPWUAC-GXDHUFHOSA-N. The full InChI is InChI=1S/C25H31NO5/c1-17(19-11-13-22(24(16-19)30-4)31-20-7-5-6-8-20)26-25(27)14-10-18-9-12-21(28-2)23(15-18)29-3/h9-17,20H,5-8H2,1-4H3,(H,26,27)/b14-10+.
What are the key properties of (E)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide?
(E)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide has a molecular weight of 425.53 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 55745702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).