N-cyclopentyl-4-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide

C25H30N2O4 — CID 98873929

IUPACN-cyclopentyl-4-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide
SMILESCCCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)cc1OC
InChIInChI=1S/C25H30N2O4/c1-3-16-31-22-14-8-18(17-23(22)30-2)9-15-24(28)26-21-12-10-19(11-13-21)25(29)27-20-6-4-5-7-20/h8-15,17,20H,3-7,16H2,1-2H3,(H,26,28)(H,27,29)/b15-9+
InChIKeyNRXOBGCWZQWIBI-OQLLNIDSSA-N
MW422.53 g/mol
LogP4.81
Rot. Bonds9

About N-cyclopentyl-4-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide

N-cyclopentyl-4-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide (PubChem CID 98873929) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-cyclopentyl-4-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide
PubChem CID98873929
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC NameN-cyclopentyl-4-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide
SMILESCCCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)cc1OC
InChIInChI=1S/C25H30N2O4/c1-3-16-31-22-14-8-18(17-23(22)30-2)9-15-24(28)26-21-12-10-19(11-13-21)25(29)27-20-6-4-5-7-20/h8-15,17,20H,3-7,16H2,1-2H3,(H,26,28)(H,27,29)/b15-9+
InChIKeyNRXOBGCWZQWIBI-OQLLNIDSSA-N
XLogP4.81
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.81
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

N-cyclopentyl-4-[3-(3-methoxy-4-propoxyphenyl)prop-2-enoylamino]benzamide
CID 55896123
N-cyclopropyl-3-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide
CID 26993761
propyl 4-[3-(3-methoxy-4-propoxyphenyl)prop-2-enoylamino]benzoate
CID 3440541
(E)-3-(3-methoxy-4-propoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 39953593
butyl 4-[[(E)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19169814
(E)-3-(4-hexoxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 102534554
3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
CID 3433146
(E)-N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 19171796
3-(3-methoxy-4-propoxyphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 3440540
2-ethoxyethyl 4-[[(E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19171941
4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzamide
CID 719545
N-(3,5-dimethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 4086044

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide?
The IUPAC name of N-cyclopentyl-4-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide (CID 98873929) is N-cyclopentyl-4-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for N-cyclopentyl-4-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide is CCCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)cc1OC.
What is the InChIKey of N-cyclopentyl-4-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide?
The InChIKey is NRXOBGCWZQWIBI-OQLLNIDSSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-3-16-31-22-14-8-18(17-23(22)30-2)9-15-24(28)26-21-12-10-19(11-13-21)25(29)27-20-6-4-5-7-20/h8-15,17,20H,3-7,16H2,1-2H3,(H,26,28)(H,27,29)/b15-9+.
What are the key properties of N-cyclopentyl-4-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide?
N-cyclopentyl-4-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide has a molecular weight of 422.53 g/mol, XLogP of 4.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 98873929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).